id int64 0 102 | image_name stringlengths 14 27 | page_image imagewidth (px) 1.02k 1.02k | description stringclasses 1
value | annotation stringlengths 103 2.8k | mol stringlengths 422 3.61k | cxsmiles_dataset stringlengths 21 227 | cxsmiles stringlengths 21 227 | cxsmiles_opt stringlengths 28 247 | keypoints null | cells listlengths 3 31 |
|---|---|---|---|---|---|---|---|---|---|---|
0 | EP14861496NWB1_40.png | <markush><cxsmi><r>R2</r>C1=CC=C(C(=O)NC2=CC=C(<r>R4</r>)C(<r>R6</r>)=C2<r>R7</r>)C(S(<r>R1</r>)=O)=C1|Sg:n:20:m:ht</cxsmi><stable>R1:(C1-C6)alkyl group<ns>R2:a halo (C1-C6) alkyl group<ns>R4:a halo (C1-C6) alkyl group<ns>m:0-2<ns>R6:a hydrogen atom<n>a halogen atom<n>a (C1-C6) alkyl group<ns>R7:a hydrogen atom<n>a hal... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 23 1 0 0
M V30 BEGIN ATOM
M V30 1 R 3.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 C 0.750000 -1.299038 0.000000 0
M V30 4 C -0.750000 -1.299038 0.000000 0
M V30 5 C -0.000000 -0.... | *C1=CC=C(C(=O)NC2=CC=C(*)C(*)=C2*)C(S(*)=O)=C1 |$R2;;;;;;;;;;;;R4;;R6;;R7;;;R1;;$,Sg:n:20:m:ht:::,| | *C1=CC=C(C(=O)NC2=CC=C(*)C(*)=C2*)C(S(*)=O)=C1 |$R2;;;;;;;;;;;;R4;;R6;;R7;;;R1;;$,Sg:n:20:m:ht:::,| | <r>R2</r>C1=CC=C(C(=O)NC2=CC=C(<r>R4</r>)C(<r>R6</r>)=C2<r>R7</r>)C(S(<r>R1</r>)=O)=C1|Sg:n:20:m:ht | null | [
{
"bbox": [
0.0439453125,
0.4990234375,
0.107421875,
0.5146484375
],
"text": "wherein"
},
{
"bbox": [
0.0751953125,
0.5458984375,
0.3642578125,
0.56640625
],
"text": "R1 represents a (C1-C6)alkyl group,"
},
{
"bbox": [
0.07617... | ||
1 | US5953857_17.png | <markush><cxsmi><r>B16</r>C1=C(<r>B15</r>)C(<r>A13</r>)=C2C(=O)C(<r>B17</r>)=C(<r>B18</r>)C(<r>A14</r>)=C2C1=O</cxsmi><stable>A13:an amino group<n>a substituted or unsubstituted alkylamino group<n>a substituted or unsubstituted alkylamino group<n>a substituted or unsubstituted arylamino group<ns>A14:an amino group<n>a ... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 19 0 0 0
M V30 BEGIN ATOM
M V30 1 R 2.250000 1.299038 0.000000 0 VAL=1
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 C -0.000000 0.000000 0.000000 0
M V30 4 R -0.902755 1.197929 0.000000 0 VAL=1
M V30 5 C -0.75000... | *C1=C(*)C(*)=C2C(=O)C(*)=C(*)C(*)=C2C1=O |$B16;;;B15;;A13;;;;;B17;;B18;;A14;;;$,| | *C1=C(*)C(*)=C2C(=O)C(*)=C(*)C(*)=C2C1=O |$B16;;;B15;;A13;;;;;B17;;B18;;A14;;;$,| | <r>B16</r>C1=C(<r>B15</r>)C(<r>A13</r>)=C2C(=O)C(<r>B17</r>)=C(<r>B18</r>)C(<r>A14</r>)=C2C1=O | null | [
{
"bbox": [
0.1298828125,
0.236328125,
0.1708984375,
0.265625
],
"text": "B17"
},
{
"bbox": [
0.2734375,
0.1748046875,
0.29296875,
0.197265625
],
"text": "O"
},
{
"bbox": [
0.3896484375,
0.169921875,
0.4326171875,
... | ||
2 | US6232309_16.png | <markush><cxsmi><r>R3</r>C.CCC1=CN=CC=C1|m:1:4.5.6.7.8.9</cxsmi><stable>R3:H<n>a halogen atom</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 9 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.750000 -1.299038 0.000000 0
M V30 2 C 3.000000 0.000000 0.000000 0
M V30 3 C 1.500000 0.000000 0.000000 0
M V30 4 C 0.750000 -1.299038 0.000000 0
M V30 5 N -0.750000 -1.299038 0... | *C.CCC1=CN=CC=C1 |$R3;;;;;;;;;$,m:1:7.8.9.6.4.5| | *C.CCC1=CN=CC=C1 |$R3;;;;;;;;;$,m:1:7.8.9.6.4.5| | <r>R3</r>C.CCC1=CN=CC=C1|m:1:4.5.6.7.8.9 | null | [
{
"bbox": [
0.6484375,
0.16015625,
0.693359375,
0.2021484375
],
"text": "R3"
},
{
"bbox": [
0.5654296875,
0.3291015625,
0.595703125,
0.369140625
],
"text": "N"
},
{
"bbox": [
0.0419921875,
0.4794921875,
0.231445312... | ||
3 | US6344453_16.png | <markush><cxsmi><r>R3</r>C.CCC1=CN=CC=C1|m:1:4.5.6.7.8.9</cxsmi><stable>R3:hydrogen<n>halogen</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 9 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.750000 -1.299038 0.000000 0
M V30 2 C 3.000000 0.000000 0.000000 0
M V30 3 C 1.500000 0.000000 0.000000 0
M V30 4 C 0.750000 -1.299038 0.000000 0
M V30 5 N -0.750000 -1.299038 0... | *C.CCC1=CN=CC=C1 |$R3;;;;;;;;;$,m:1:7.8.9.6.4.5| | *C.CCC1=CN=CC=C1 |$R3;;;;;;;;;$,m:1:7.8.9.6.4.5| | <r>R3</r>C.CCC1=CN=CC=C1|m:1:4.5.6.7.8.9 | null | [
{
"bbox": [
0.3857421875,
0.3017578125,
0.416015625,
0.3330078125
],
"text": "R3"
},
{
"bbox": [
0.328125,
0.4287109375,
0.34765625,
0.44921875
],
"text": "N"
},
{
"bbox": [
0.0439453125,
0.5517578125,
0.953125,
... | ||
4 | US6521785_11.png | <markush><cxsmi><r>R2</r>C.<r>R3</r>C.O=S(=O)(O)C1=C2C=CC=CC2=CC=C1|m:1:9.10.11.12.13.14,m:3:8.9.14.15.16.17</cxsmi><stable>R2:hydrogen<n>C1-C24 alkyl<ns>R3:hydrogen<n>C1-C24 alkyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 17 0 0 0
M V30 BEGIN ATOM
M V30 1 O 3.000000 2.598076 0.000000 0
M V30 2 S 2.250000 1.299038 0.000000 0
M V30 3 O 3.549038 0.549038 0.000000 0
M V30 4 O 1.171046 2.341084 0.000000 0
M V30 5 C 0.443315 -1.432248 0.0... | *C.*C.O=S(=O)(O)C1=C2C=CC=CC2=CC=C1 |$R2;;R3;;;;;;;;;;;;;;;$,m:1:11.10.12.9.14.13,m:3:14.15.9.8.17.16| | *C.*C.O=S(=O)(O)C1=C2C=CC=CC2=CC=C1 |$R2;;R3;;;;;;;;;;;;;;;$,m:1:11.10.12.9.14.13,m:3:14.15.9.8.17.16| | <r>R2</r>C.<r>R3</r>C.O=S(=O)(O)C1=C2C=CC=CC2=CC=C1|m:1:9.10.11.12.13.14,m:3:8.9.14.15.16.17 | null | [
{
"bbox": [
0.0908203125,
0.275390625,
0.123046875,
0.30078125
],
"text": "R2"
},
{
"bbox": [
0.09375,
0.5,
0.123046875,
0.5302734375
],
"text": "R3"
},
{
"bbox": [
0.33984375,
0.37890625,
0.36328125,
0.40332... | ||
5 | US8901170_31.png | <markush><cxsmi><r>RB</r>NC(=O)C1=C(NC(=O)C2=CC(<r>B2</r>)=NN2C2=C(Cl)C=CC=N2)C(C)=CC(<r>B1</r>)=C1</cxsmi><stable>B1:hydrogen<n>chlorine<n>cyano<ns>B2:a bromine atom<n>CF3<ns>RB:H<n>CH3<n>CH(CH3)2</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 28 30 0 0 0
M V30 BEGIN ATOM
M V30 1 C 2.250000 1.299038 0.000000 0
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 C 0.750000 -1.299038 0.000000 0
M V30 4 C -0.750000 -1.299038 0.000000 0
M V30 5 R -1.500000 -2.598076... | *NC(=O)C1=C(NC(=O)C2=CC(*)=NN2C2=C(Cl)C=CC=N2)C(C)=CC(*)=C1 |$RB;;;;;;;;;;;;B2;;;;;;;;;;;;;;B1;$,| | *NC(=O)C1=C(NC(=O)C2=CC(*)=NN2C2=C(Cl)C=CC=N2)C(C)=CC(*)=C1 |$RB;;;;;;;;;;;;B2;;;;;;;;;;;;;;B1;$,| | <r>RB</r>NC(=O)C1=C(NC(=O)C2=CC(<r>B2</r>)=NN2C2=C(Cl)C=CC=N2)C(C)=CC(<r>B1</r>)=C1 | null | [
{
"bbox": [
0.1572265625,
0.36328125,
0.1845703125,
0.392578125
],
"text": "B1"
},
{
"bbox": [
0.4365234375,
0.4921875,
0.4560546875,
0.513671875
],
"text": "O"
},
{
"bbox": [
0.3310546875,
0.552734375,
0.3515625,
... | ||
6 | US9550902_23.png | <markush><cxsmi><r>Re</r>C(C)(C)CC|Sg:n:4:e:ht</cxsmi><stable>Re:hydrogen<n>methyl<ns>e:0-3</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 1 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 3.348076 0.000000 0
M V30 2 C 0.549038 2.049038 0.000000 0
M V30 3 C 1.299038 0.750000 0.000000 0
M V30 4 C 2.598076 1.500000 0.000000 0
M V30 5 C 2.049038 -0.549038 0.000... | *C(C)(C)CC |$Re;;;;;$,Sg:n:4:e:ht:::,| | *C(C)(C)CC |$Re;;;;;$,Sg:n:4:e:ht:::,| | <r>Re</r>C(C)(C)CC|Sg:n:4:e:ht | null | [
{
"bbox": [
0.3720703125,
0.4326171875,
0.3828125,
0.443359375
],
"text": "e"
},
{
"bbox": [
0.4658203125,
0.4130859375,
0.4931640625,
0.43359375
],
"text": "Re"
},
{
"bbox": [
0.04296875,
0.5712890625,
0.955078125... | ||
7 | US10526338B2_17_c.png | <markush><cxsmi><r>R1</r>C.<r>R2</r>C.<r>R3</r>C(C)(C)C(CC(=O)O)NC1=C(F)C=<r>X</r>C(C2=CNC3=<r>Y</r>C=<r>Z</r>C=C23)=N1|m:1:23.24.25.26.27.28,m:3:14.15.17.18.19.29</cxsmi><stable>Y:N<ns>X:C<n>N<ns>Z:C<n>N<ns>R1:halogen<n>H<ns>R2:H<n>CN<ns>R3:heterocycle<n>OCH3</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 30 30 0 0 0
M V30 BEGIN ATOM
M V30 1 C -6.228036 -4.932229 0.000000 0
M V30 2 C -7.231732 -6.046946 0.000000 0
M V30 3 C -8.346449 -5.043250 0.000000 0
M V30 4 R -8.235428 -7.161663 0.000000 0 VAL=1
M V30 5 C -6.11701... | *C.*C.*C(C)(C)C(CC(=O)O)NC1=C(F)C=*C(C2=CNC3=*C=*C=C32)=N1 |$R1;;R2;;R3;;;;;;;;;;;;;;X;;;;;;Y;;Z;;;$,m:1:25.24.26.23.28.27,m:3:18.17.19.29.14.15| | *C.*C.*C(C)(C)C(CC(=O)O)NC1=C(F)C=*C(C2=CNC3=*C=*C=C32)=N1 |$R1;;R2;;R3;;;;;;;;;;;;;;X;;;;;;Y;;Z;;;$,m:1:25.24.26.23.28.27,m:3:18.17.19.29.14.15| | <r>R1</r>C.<r>R2</r>C.<r>R3</r>C(C)(C)C(CC(=O)O)NC1=C(F)C=<r>X</r>C(C2=CNC3=<r>Y</r>C=<r>Z</r>C=C23)=N1|m:1:23.24.25.26.27.28,m:3:14.15.17.18.19.29 | null | [
{
"bbox": [
0.1123046875,
0.556640625,
0.146484375,
0.5859375
],
"text": "R1"
},
{
"bbox": [
0.177734375,
0.5,
0.1982421875,
0.5263671875
],
"text": "Z"
},
{
"bbox": [
0.240234375,
0.6123046875,
0.26171875,
0... | ||
8 | WO2002010163A1_23.png | <markush><cxsmi><r>R</r>C(=O)C(<r>L</r>)<r>R1</r></cxsmi><stable>R:described hereinabove<ns>R1:described hereinabove<ns>L:halogen<n>sulfonate</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 R 2.598076 3.... | *C(=O)C(*)* |$R;;;;L;R1$,| | *C(=O)C(*)* |$R;;;;L;R1$,| | <r>R</r>C(=O)C(<r>L</r>)<r>R1</r> | null | [
{
"bbox": [
0.7705078125,
0.2890625,
0.7998046875,
0.3203125
],
"text": "R"
},
{
"bbox": [
0.822265625,
0.201171875,
0.8515625,
0.23046875
],
"text": "O"
},
{
"bbox": [
0.876953125,
0.3427734375,
0.9169921875,
... | ||
9 | WO2002010163A1_29_2.png | <markush><cxsmi><r>Z</r>C(=<r>Y</r>)SC(<r>R3</r>)(<r>R2</r>)C1=NC(<r>R1</r>)=C(<r>R</r>)O1</cxsmi><stable>R:alkyl<n>aryl<n>heteroaryl<ns>R1:hydrogen<n>alkyl<n>aryl<n>heteroaryl<ns>R2:hydrogen<n>alkyl<n>aryl<n>heteroaryl<ns>R3:hydrogen<n>alkyl<n>aryl<n>heteroaryl<ns>Y:O<n>S<n>NH<n>N-alkyl<n>N-aryl<n>N-acyl<ns>Z:hydrogen... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 14 14 0 0 0
M V30 BEGIN ATOM
M V30 1 R 6.525976 1.299038 0.000000 0 VAL=1
M V30 2 C 5.025976 1.299038 0.000000 0
M V30 3 R 4.275976 2.598076 0.000000 0 VAL=2
M V30 4 S 4.275976 0.000000 0.000000 0
M V30 5 C 2.775976 0... | *C(=*)SC(*)(*)C1=NC(*)=C(*)O1 |$Z;;Y;;;R3;R2;;;;R1;;R;$,| | *C(=*)SC(*)(*)C1=NC(*)=C(*)O1 |$Z;;Y;;;R3;R2;;;;R1;;R;$,| | <r>Z</r>C(=<r>Y</r>)SC(<r>R3</r>)(<r>R2</r>)C1=NC(<r>R1</r>)=C(<r>R</r>)O1 | null | [
{
"bbox": [
0.44140625,
0.25,
0.4638671875,
0.275390625
],
"text": "R1"
},
{
"bbox": [
0.4404296875,
0.3291015625,
0.4599609375,
0.3486328125
],
"text": "R"
},
{
"bbox": [
0.498046875,
0.267578125,
0.5126953125,
... | ||
10 | 06521785_9.png | <markush><cxsmi><r>R4</r>[N+]([H])(<r>R5</r>O[H])<r>R5</r>O[H]|Sg:n:6,7:x:ht,Sg:n:3,4:y:ht</cxsmi><stable>R4:C7-C24 alkyl<n>C2-C24 alkenyl—CH2—<ns>R5:a straight or branched chain C2-C4 alkylene<ns>x:1-50<ns>y:0-50</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 8 2 0 0
M V30 BEGIN ATOM
M V30 1 H 3.897114 3.750000 0.000000 0
M V30 2 O 2.598076 3.000000 0.000000 0
M V30 3 R 2.598076 1.500000 0.000000 0 VAL=2
M V30 4 N 1.299038 0.750000 0.000000 0 CHG=1 VAL=4
M V30 5 H 0.5490... | *[N+]([H])(*O[H])*O[H] |$R4;;;R5;;;R5;;$,,,Sg:n:6,7:x:ht:::,Sg:n:3,4:y:ht:::,| | *[N+]([H])(*O[H])*O[H] |$R4;;;R5;;;R5;;$,,,Sg:n:6,7:x:ht:::,Sg:n:3,4:y:ht:::,| | <r>R4</r>[N+]([H])(<r>R5</r>O[H])<r>R5</r>O[H]|Sg:n:6,7:x:ht,Sg:n:3,4:y:ht | null | [
{
"bbox": [
0.091796875,
0.2451171875,
0.1171875,
0.2705078125
],
"text": "H"
},
{
"bbox": [
0.208984375,
0.24609375,
0.259765625,
0.2763671875
],
"text": "R5O"
},
{
"bbox": [
0.271484375,
0.2626953125,
0.282226562... | ||
11 | 07083908_90_c.png | <markush><cxsmi><r>R</r>C.C1=CC2=C(C=C1)NN=N2|m:1:2.3.4.5.6.7</cxsmi><stable>R:a hydrogen atom<n>an alkyl group having 1 to 4 carbon atoms<n>an aryl group<n>a halogen atom<n>an amino group<n>a nitro group<n>an alkoxycarbonyl group<n>a substituted or non-substituted carboxy group<n>a sulfonic group</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 11 11 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.302734 0.750000 0.000000 0
M V30 2 R 2.003696 0.000000 0.000000 0
M V30 3 N -0.620318 -0.688933 0.000000 0
M V30 4 N -0.463525 0.802850 0.000000 0
M V30 5 N 1.003696 1.114717 0... | *C.C1=CC2=C(C=C1)NN=N2 |$R;;;;;;;;;;$,m:0:6.5.4.7.2.3| | *C.C1=CC2=C(C=C1)NN=N2 |$R;;;;;;;;;;$,m:0:6.5.4.7.2.3| | <r>R</r>C.C1=CC2=C(C=C1)NN=N2|m:1:2.3.4.5.6.7 | null | [
{
"bbox": [
0.279296875,
0.3564453125,
0.296875,
0.3798828125
],
"text": "R"
},
{
"bbox": [
0.5068359375,
0.3046875,
0.525390625,
0.322265625
],
"text": "N"
},
{
"bbox": [
0.5390625,
0.244140625,
0.5595703125,
... | ||
12 | 07083908_91.png | <markush><cxsmi><r>R1</r>C(<r>R2</r>)C(<r>X</r>)C#N</cxsmi><stable>R1:a hydroxyl group<n>a metal salt of a hydroxyl group<ns>R2:an alkyl group<n>an aryl group<ns>X:an electron withdrawing group</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 6 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 R 2.598076 3.... | *C(*)C(*)C#N |$R1;;R2;;X;;$,| | *C(*)C(*)C#N |$R1;;R2;;X;;$,| | <r>R1</r>C(<r>R2</r>)C(<r>X</r>)C#N | null | [
{
"bbox": [
0.1298828125,
0.27734375,
0.15234375,
0.298828125
],
"text": "X"
},
{
"bbox": [
0.25,
0.2783203125,
0.2919921875,
0.30078125
],
"text": "CN"
},
{
"bbox": [
0.119140625,
0.4091796875,
0.1484375,
0.... | ||
13 | EP1337602B1_13_c.png | <markush><cxsmi><r>R1</r>C1(C<r>X</r><r>Y</r><r>Z</r><r>M</r><r>Z'</r><r>Y'</r><r>X'</r>CC2(<r>R2</r>)COC2)COC1</cxsmi><stable>R1:straight or branched C1-C4 alkyl<n>hydrogen<ns>R2:straight or branched C1-C4 alkyl<n>hydrogen<ns>X:oxygen<n>sulfur<n>a single covalent bond<n>-O-CO-<n>-CO-O-<n>-O-CO-O-<ns>X':oxygen<n>sulfur... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 19 20 0 0 0
M V30 BEGIN ATOM
M V30 1 R -12.159516 -2.973929 0.000000 0 VAL=1
M V30 2 C -12.547745 -4.422818 0.000000 0
M V30 3 C -11.098856 -4.811047 0.000000 0
M V30 4 R -10.038196 -3.750387 0.000000 0 VAL=2
M V30 5 ... | *C1(C*******CC2(*)COC2)COC1 |$R1;;;X;Y;Z;M;Z';Y';X';;;R2;;;;;;$,| | *C1(C*******CC2(*)COC2)COC1 |$R1;;;X;Y;Z;M;Z';Y';X';;;R2;;;;;;$,| | <r>R1</r>C1(C<r>X</r><r>Y</r><r>Z</r><r>M</r><r>Z'</r><r>Y'</r><r>X'</r>CC2(<r>R2</r>)COC2)COC1 | null | [
{
"bbox": [
0.083984375,
0.28515625,
0.1025390625,
0.3046875
],
"text": "O"
},
{
"bbox": [
0.181640625,
0.3291015625,
0.2060546875,
0.3525390625
],
"text": "R1"
},
{
"bbox": [
0.2216796875,
0.4091796875,
0.23730468... | ||
14 | EP1337602B1_14.png | <markush><cxsmi><r>R</r>C1=C(OC(=O)C2=CC=C(OCOCC3(C)COC3)C=C2)C=CC(OC(=O)C2=CC=C(OCOC3(C)COC3)C=C2)=C1|Sg:n:32:n:ht,Sg:n:11:n:ht</cxsmi><stable>R:methyl<ns>n:4-6</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 42 46 2 0 0
M V30 BEGIN ATOM
M V30 1 C 2.799038 -7.044229 0.000000 0
M V30 2 C 1.500000 -7.794229 0.000000 0
M V30 3 C 0.750000 -6.495191 0.000000 0
M V30 4 O 1.500000 -5.196152 0.000000 0
M V30 5 C 0.750000 -3.897114... | *C1=C(OC(=O)C2=CC=C(OCOCC3(C)COC3)C=C2)C=CC(OC(=O)C2=CC=C(OCOC3(C)COC3)C=C2)=C1 |$R;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,,,Sg:n:32:n:ht:::,Sg:n:11:n:ht:::,| | *C1=C(OC(=O)C2=CC=C(OCOCC3(C)COC3)C=C2)C=CC(OC(=O)C2=CC=C(OCOC3(C)COC3)C=C2)=C1 |$R;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,,,Sg:n:32:n:ht:::,Sg:n:11:n:ht:::,| | <r>R</r>C1=C(OC(=O)C2=CC=C(OCOCC3(C)COC3)C=C2)C=CC(OC(=O)C2=CC=C(OCOC3(C)COC3)C=C2)=C1|Sg:n:32:n:ht,Sg:n:11:n:ht | null | [
{
"bbox": [
0.0439453125,
0.41015625,
0.0595703125,
0.4296875
],
"text": "O"
},
{
"bbox": [
0.15625,
0.4560546875,
0.2578125,
0.4794921875
],
"text": "O(CH2)nO"
},
{
"bbox": [
0.4140625,
0.421875,
0.431640625,
... | ||
15 | EP12764969NWB2_43.png | <markush><cxsmi><r>R1</r><r>R2</r>OOP(=O)(O<r>M1</r>)O<r>M2</r>|Sg:n:1,2:n:ht</cxsmi><stable>R1:a hydrocarbon group<ns>R2:a hydrocarbon group<ns>M1:an alkali metal<ns>M2:an alkali metal<n>a hydrogen atom<n>a hydrocarbon group<n>a hydrocarbon group containing an oxygen atom(s)<ns>n:1-</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 9 1 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 O 1.299038 0.750000 0.000000 0
M V30 3 P 2.598076 -0.000000 0.000000 0
M V30 4 O 3.897114 -0.750000 0.000000 0
M V30 5 O 1.848076 -1.299... | **OOP(=O)(O*)O* |$R1;R2;;;;;;M1;;M2$,Sg:n:1,2:n:ht:::,| | **OOP(=O)(O*)O* |$R1;R2;;;;;;M1;;M2$,Sg:n:1,2:n:ht:::,| | <r>R1</r><r>R2</r>OOP(=O)(O<r>M1</r>)O<r>M2</r>|Sg:n:1,2:n:ht | null | [
{
"bbox": [
0.236328125,
0.41015625,
0.2666015625,
0.4365234375
],
"text": "R1"
},
{
"bbox": [
0.2998046875,
0.4091796875,
0.3271484375,
0.435546875
],
"text": "R2"
},
{
"bbox": [
0.349609375,
0.4130859375,
0.36718... | ||
16 | EP14750931NWB1_98.png | <markush><cxsmi><r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=C2O)N=CC=C3)C=C1|m:1:11.12.16.17.18.19,m:3:11.12.16.17.18.19</cxsmi><stable>Rc:hydrogen<n>cyano<n>halogen<n>hydroxy<n>C1-C4alkyl<n>C2-C4alkenyl<n>C2-C4alkynyl<n>C1-C4alkoxy<n>C3-C7cycloalkyl<n>heterocyclyl<n>heteroaryl<n>heterocyclyl C1-C4alkyl<n>C1-C4alk... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 22 0 0 0
M V30 BEGIN ATOM
M V30 1 O 0.750000 -3.897114 0.000000 0
M V30 2 C 0.488429 -0.681071 0.000000 0
M V30 3 C 0.844211 -0.729312 0.000000 0
M V30 4 C -0.000000 -0.000000 0.000000 0
M V30 5 C 0.750000 -1.29903... | *C.*C.*C1=NN=C(C2=CC3=C(C=C2O)N=CC=C3)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:16.17.12.18.11.19,m:3:18.11.19.16.17.12| | *C.*C.*C1=NN=C(C2=CC3=C(C=C2O)N=CC=C3)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:16.17.12.18.11.19,m:3:18.11.19.16.17.12| | <r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=C2O)N=CC=C3)C=C1|m:1:11.12.16.17.18.19,m:3:11.12.16.17.18.19 | null | [
{
"bbox": [
0.353515625,
0.4208984375,
0.3740234375,
0.443359375
],
"text": "Rd"
},
{
"bbox": [
0.375,
0.3837890625,
0.3974609375,
0.404296875
],
"text": "Rc"
},
{
"bbox": [
0.4052734375,
0.4482421875,
0.416015625,... | ||
17 | EP14750931NWB1_99.png | <markush><cxsmi><r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=CC=N3)C=C2O)C=C1|m:1:11.12.13.14.15.16,m:3:11.12.13.14.15.16</cxsmi><stable>Rc:hydrogen<n>cyano<n>halogen<n>hydroxy<n>C1-C4alkyl<n>C2-C4alkenyl<n>C2-C4alkynyl<n>C1-C4alkoxy<n>C3-C7cycloalkyl<n>heterocyclyl<n>heteroaryl<n>heterocyclyl C1-C4alkyl<n>C1-C4alk... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 22 0 0 0
M V30 BEGIN ATOM
M V30 1 O 0.750000 -3.897114 0.000000 0
M V30 2 C 0.488429 -0.681071 0.000000 0
M V30 3 C 0.844211 -0.729312 0.000000 0
M V30 4 C -0.000000 -0.000000 0.000000 0
M V30 5 C 0.750000 -1.29903... | *C.*C.*C1=NN=C(C2=CC3=C(C=CC=N3)C=C2O)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:11.16.14.13.15.12,m:3:14.13.15.12.11.16| | *C.*C.*C1=NN=C(C2=CC3=C(C=CC=N3)C=C2O)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:11.16.14.13.15.12,m:3:14.13.15.12.11.16| | <r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=CC=N3)C=C2O)C=C1|m:1:11.12.13.14.15.16,m:3:11.12.13.14.15.16 | null | [
{
"bbox": [
0.349609375,
0.4189453125,
0.373046875,
0.439453125
],
"text": "Rd"
},
{
"bbox": [
0.3701171875,
0.453125,
0.3916015625,
0.474609375
],
"text": "Rc"
},
{
"bbox": [
0.4013671875,
0.3916015625,
0.41601562... | ||
18 | EP14750931NWB1_99_2.png | <markush><cxsmi><r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=CN=C3)C=C2O)C=C1|m:1:11.12.13.14.15.16,m:3:11.12.13.14.15.16</cxsmi><stable>Rc:hydrogen<n>cyano<n>halogen<n>hydroxy<n>C1-C4alkyl<n>C2-C4alkenyl<n>C2-C4alkynyl<n>C1-C4alkoxy<n>C3-C7cycloalkyl<n>heterocyclyl<n>heteroaryl<n>heterocyclyl C1-C4alkyl<n>C1-C4alk... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 22 0 0 0
M V30 BEGIN ATOM
M V30 1 O 0.750000 -3.897114 0.000000 0
M V30 2 C 0.488429 -0.681071 0.000000 0
M V30 3 C 0.844211 -0.729312 0.000000 0
M V30 4 C -0.000000 -0.000000 0.000000 0
M V30 5 C 0.750000 -1.29903... | *C.*C.*C1=NN=C(C2=CC3=C(C=CN=C3)C=C2O)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:11.16.14.13.12.15,m:3:14.13.12.15.11.16| | *C.*C.*C1=NN=C(C2=CC3=C(C=CN=C3)C=C2O)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:11.16.14.13.12.15,m:3:14.13.12.15.11.16| | <r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=CN=C3)C=C2O)C=C1|m:1:11.12.13.14.15.16,m:3:11.12.13.14.15.16 | null | [
{
"bbox": [
0.373046875,
0.3798828125,
0.3916015625,
0.3974609375
],
"text": "Rd"
},
{
"bbox": [
0.3701171875,
0.4072265625,
0.380859375,
0.4208984375
],
"text": "N"
},
{
"bbox": [
0.359375,
0.453125,
0.3798828125,... | ||
19 | EP14750931NWB1_100.png | <markush><cxsmi><r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=C2O)N=CC=N3)C=C1|m:1:11.12.16.17.18.19,m:3:11.12.16.17.18.19</cxsmi><stable>Rc:hydrogen<n>cyano<n>halogen<n>hydroxy<n>C1-C4alkyl<n>C2-C4alkenyl<n>C2-C4alkynyl<n>C1-C4alkoxy<n>C3-C7cycloalkyl<n>heterocyclyl<n>heteroaryl<n>heterocyclyl C1-C4alkyl<n>C1-C4alk... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 22 0 0 0
M V30 BEGIN ATOM
M V30 1 O 0.750000 -3.897114 0.000000 0
M V30 2 C 0.488429 -0.681071 0.000000 0
M V30 3 C 0.844211 -0.729312 0.000000 0
M V30 4 C -0.000000 -0.000000 0.000000 0
M V30 5 C 0.750000 -1.29903... | *C.*C.*C1=NN=C(C2=CC3=C(C=C2O)N=CC=N3)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:11.19.17.12.16.18,m:3:17.12.16.18.11.19| | *C.*C.*C1=NN=C(C2=CC3=C(C=C2O)N=CC=N3)C=C1 |$Rd;;Rc;;B;;;;;;;;;;;;;;;;;$,m:1:11.19.17.12.16.18,m:3:17.12.16.18.11.19| | <r>Rd</r>C.<r>Rc</r>C.<r>B</r>C1=NN=C(C2=CC3=C(C=C2O)N=CC=N3)C=C1|m:1:11.12.16.17.18.19,m:3:11.12.16.17.18.19 | null | [
{
"bbox": [
0.353515625,
0.388671875,
0.3779296875,
0.40234375
],
"text": "Rd"
},
{
"bbox": [
0.3896484375,
0.3935546875,
0.40234375,
0.4091796875
],
"text": "N"
},
{
"bbox": [
0.353515625,
0.4560546875,
0.37597656... | ||
20 | US6239192_9.png | <markush><cxsmi><r>R3</r>C.<r>R4</r>C.<r>R2</r>C1=CC=CC(<r>R1</r>)=C1C(=O)NC(=O)NC1=CC=CC=C1|m:1:18.19.20.21.22.23,m:3:18.19.20.21.22.23</cxsmi><stable>R1:halogen<ns>R2:hydrogen<n>halogen<ns>R3:hydrogen<n>halogen<n>C1-4-alkyl<ns>R4:halogen<n>1-5-halogeno-C1-4-alkyl<n>C1-4-alkoxy<n>1-5-halogeno-C1-4-alkoxy<n>C1-4-alkylt... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 23 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.299038 0.750000 0.000000 0
M V30 2 R 4.000000 0.000000 0.000000 0 VAL=1
M V30 3 C 7.598076 0.750000 0.000000 0
M V30 4 R 6.299038 0.000000 0.000000 0 VAL=1
M V30 5 R 3.000000 0... | *C.*C.*C1=CC=CC(*)=C1C(=O)NC(=O)NC1=CC=CC=C1 |$R3;;R4;;R2;;;;;;R1;;;;;;;;;;;;;$,m:1:19.20.18.21.23.22,m:3:18.21.23.22.19.20| | *C.*C.*C1=CC=CC(*)=C1C(=O)NC(=O)NC1=CC=CC=C1 |$R3;;R4;;R2;;;;;;R1;;;;;;;;;;;;;$,m:1:19.20.18.21.23.22,m:3:18.21.23.22.19.20| | <r>R3</r>C.<r>R4</r>C.<r>R2</r>C1=CC=CC(<r>R1</r>)=C1C(=O)NC(=O)NC1=CC=CC=C1|m:1:18.19.20.21.22.23,m:3:18.19.20.21.22.23 | null | [
{
"bbox": [
0.26953125,
0.0439453125,
0.296875,
0.068359375
],
"text": "R1"
},
{
"bbox": [
0.26953125,
0.2646484375,
0.2998046875,
0.2939453125
],
"text": "R2"
},
{
"bbox": [
0.3330078125,
0.1591796875,
0.372070312... | ||
21 | US6495573_10.png | <markush><cxsmi><r>R4</r>C.<r>R5</r>C.<r>R1</r>C(<r>R2</r>)=CC1C(C(=O)OC(<r>R3</r>)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C|m:1:15.16.17.18.19.27,m:3:21.22.23.24.25.26</cxsmi><stable>R1:hydrogen<n>halogen<n>halogen-substituted alkyl<n>halogen-substituted phenyl<ns>R2:hydrogen<n>halogen<n>halogen-substituted alkyl<n>halogen-sub... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 31 31 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.026250 -4.907587 0.000000 0
M V30 2 C 6.549038 -4.647114 0.000000 0
M V30 3 C 6.036008 -6.056653 0.000000 0
M V30 4 C 6.549038 -3.147114 0.000000 0
M V30 5 C 7.299038 -1.848076... | *C.*C.*C(*)=CC1C(C(=O)OC(*)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C |$R4;;R5;;R1;;R2;;;;;;;;R3;;;;;;;;;;;;;;;;$,m:1:15.16.17.27.18.19,m:3:22.21.23.24.25.26| | *C.*C.*C(*)=CC1C(C(=O)OC(*)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C |$R4;;R5;;R1;;R2;;;;;;;;R3;;;;;;;;;;;;;;;;$,m:1:15.16.17.27.18.19,m:3:22.21.23.24.25.26| | <r>R4</r>C.<r>R5</r>C.<r>R1</r>C(<r>R2</r>)=CC1C(C(=O)OC(<r>R3</r>)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C|m:1:15.16.17.18.19.27,m:3:21.22.23.24.25.26 | null | [
{
"bbox": [
0.099609375,
0.28125,
0.1279296875,
0.3076171875
],
"text": "R1"
},
{
"bbox": [
0.0966796875,
0.396484375,
0.1318359375,
0.4267578125
],
"text": "R2"
},
{
"bbox": [
0.3359375,
0.345703125,
0.3935546875,... | ||
22 | US6538013_36_c.png | <markush><cxsmi><r>Y</r>/<r>X</r>=C(\N(<r>R1</r>)<r>T</r>)N(<r>U</r>)C(=O)OC(<r>R2</r>)(<r>R2'</r>)OC(<r>R</r>)=O</cxsmi><stable>R1:pyridyl-substituted C1-C6alkyl<ns>X:CH<ns>Y:NO2<ns>T:hydrogen<n>C1-C6alkyl<ns>U:hydrogen<n>C1-C6alkyl<ns>R2:hydrogen<n>C1-C6alkyl<ns>R2':hydrogen<n>C1-C6alkyl<ns>R:C1-C20alkyl</stable></ma... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 17 0 0 0
M V30 BEGIN ATOM
M V30 1 R -0.750000 -1.299038 0.000000 0 VAL=1
M V30 2 R 0.000000 0.000000 0.000000 0 VAL=3
M V30 3 C 1.500000 0.000000 0.000000 0
M V30 4 N 2.250000 -1.299038 0.000000 0
M V30 5 R 3.75000... | */*=C(\N(*)*)N(*)C(=O)OC(*)(*)OC(*)=O |$Y;X;;;R1;T;;U;;;;;R2;R2';;;R;$,| | */*=C(\N(*)*)N(*)C(=O)OC(*)(*)OC(*)=O |$Y;X;;;R1;T;;U;;;;;R2;R2';;;R;$,| | <r>Y</r>/<r>X</r>=C(\N(<r>R1</r>)<r>T</r>)N(<r>U</r>)C(=O)OC(<r>R2</r>)(<r>R2'</r>)OC(<r>R</r>)=O | null | [
{
"bbox": [
0.2529296875,
0.125,
0.27734375,
0.1474609375
],
"text": "R1"
},
{
"bbox": [
0.310546875,
0.15234375,
0.3291015625,
0.173828125
],
"text": "N"
},
{
"bbox": [
0.3134765625,
0.20703125,
0.3291015625,
... | ||
23 | US6995262_37_c.png | <markush><cxsmi><r>R</r><r>A</r>N<r>Y</r>CC|Sg:n:4:n:ht</cxsmi><stable>n:1-9<ns>Y:C=O<n>—SO2<ns>A:C=O<n>—SO2<ns>R:an optionally substituted alkyl or aryl radical</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 1 0 0
M V30 BEGIN ATOM
M V30 1 C 6.495191 0.750000 0.000000 0
M V30 2 C 5.196152 -0.000000 0.000000 0
M V30 3 R 3.897114 0.750000 0.000000 0 VAL=2
M V30 4 N 2.598076 -0.000000 0.000000 0
M V30 5 R 1.299038 0.75000... | **N*CC |$R;A;;Y;;$,Sg:n:4:n:ht:::,| | **N*CC |$R;A;;Y;;$,Sg:n:4:n:ht:::,| | <r>R</r><r>A</r>N<r>Y</r>CC|Sg:n:4:n:ht | null | [
{
"bbox": [
0.443359375,
0.279296875,
0.4560546875,
0.2978515625
],
"text": "n"
},
{
"bbox": [
0.4580078125,
0.318359375,
0.4775390625,
0.3427734375
],
"text": "Y"
},
{
"bbox": [
0.517578125,
0.2607421875,
0.535156... | ||
24 | US7847043B2_22.png | <markush><cxsmi><r>R1</r>[Bi](<r>R2</r>)C(<r>R3</r>)(<r>R4</r>)<r>R5</r></cxsmi><stable>R1:C1-C8 alkyl<n>aryl<n>substituted aryl<n>an aromatic heterocyclic group<ns>R2:C1-C8 alkyl<n>aryl<n>substituted aryl<n>an aromatic heterocyclic group<ns>R3:hydrogen atom<n>C1-C8 alkyl<ns>R4:hydrogen atom<n>C1-C8 alkyl<ns>R5:aryl<n>... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 6 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 Bi 1.299038 0.750000 0.000000 0 VAL=3
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 R 2.79... | *[Bi](*)C(*)(*)* |$R1;;R2;;R3;R4;R5$,| | *[Bi](*)C(*)(*)* |$R1;;R2;;R3;R4;R5$,| | <r>R1</r>[Bi](<r>R2</r>)C(<r>R3</r>)(<r>R4</r>)<r>R5</r> | null | [
{
"bbox": [
0.349609375,
0.3330078125,
0.3798828125,
0.3642578125
],
"text": "R4"
},
{
"bbox": [
0.4248046875,
0.263671875,
0.4541015625,
0.2900390625
],
"text": "R3"
},
{
"bbox": [
0.423828125,
0.40234375,
0.45410... | ||
25 | US7847043B2_22_2.png | <markush><cxsmi><r>Z</r>[Bi](<r>R1</r>)<r>R2</r></cxsmi><stable>R1:as defined above<ns>R2:as defined above<ns>Z:a halogen atom<n>alkali metal</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 4 3 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 Bi 1.299038 0.750000 0.000000 0 VAL=3
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 R 1.299038 2.250000 0.000000 0 VAL=1
M V30 EN... | *[Bi](*)* |$Z;;R1;R2$,| | *[Bi](*)* |$Z;;R1;R2$,| | <r>Z</r>[Bi](<r>R1</r>)<r>R2</r> | null | [
{
"bbox": [
0.3837890625,
0.4052734375,
0.4072265625,
0.43359375
],
"text": "Z"
},
{
"bbox": [
0.4560546875,
0.4072265625,
0.4814453125,
0.4296875
],
"text": "Bi"
},
{
"bbox": [
0.5029296875,
0.33984375,
0.53515625... | ||
26 | US8076430B2_12_c.png | <markush><cxsmi><r>R1</r>[Bi](<r>R2</r>)<r>R3</r></cxsmi><stable>R1:a C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<n>an aromatic heterocyclic group<n>a group represented by the formula (2)<ns>R2:a C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<n>an aromatic heterocyclic group<n>a group rep... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 4 3 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 Bi 1.299038 0.750000 0.000000 0 VAL=3
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 R 1.299038 2.250000 0.000000 0 VAL=1
M V30 EN... | *[Bi](*)* |$R1;;R2;R3$,| | *[Bi](*)* |$R1;;R2;R3$,| | <r>R1</r>[Bi](<r>R2</r>)<r>R3</r> | null | [
{
"bbox": [
0.408203125,
0.3408203125,
0.435546875,
0.3662109375
],
"text": "R3"
},
{
"bbox": [
0.4794921875,
0.34375,
0.5087890625,
0.369140625
],
"text": "Bi"
},
{
"bbox": [
0.5263671875,
0.283203125,
0.555664062... | ||
27 | US8076430B2_13.png | <markush><cxsmi><r>R7</r>C1=C(<r>R6</r>)C(<r>R5</r>)=C(SC)C(<r>R4</r>)=C1<r>R8</r></cxsmi><stable>R4:a C3-C8 alkyl group<n>an aryl group<n>a substituted aryl group<ns>R5:a C3-C8 alkyl group<n>an aryl group<n>a substituted aryl group<ns>R6:a hydrogen atom<n>a C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 13 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.750000 1.299038 0.000000 0
M V30 2 S 2.250000 1.299038 0.000000 0
M V30 3 C 0.800000 0.000000 0.000000 0
M V30 4 C 0.350000 -0.606218 0.000000 0
M V30 5 R -1.042046 1.078954 0.... | *C1=C(*)C(*)=C(SC)C(*)=C1* |$R7;;;R6;;R5;;;;;R4;;R8$,| | *C1=C(*)C(*)=C(SC)C(*)=C1* |$R7;;;R6;;R5;;;;;R4;;R8$,| | <r>R7</r>C1=C(<r>R6</r>)C(<r>R5</r>)=C(SC)C(<r>R4</r>)=C1<r>R8</r> | null | [
{
"bbox": [
0.3642578125,
0.365234375,
0.380859375,
0.3896484375
],
"text": "S"
},
{
"bbox": [
0.4248046875,
0.240234375,
0.4599609375,
0.26953125
],
"text": "R5"
},
{
"bbox": [
0.5595703125,
0.240234375,
0.5927734... | ||
28 | US8076430B2_13_2.png | <markush><cxsmi><r>X</r>[Bi](<r>X</r>)<r>X</r></cxsmi><stable>X:halogen atom<n>a C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<n>an aromatic heterocyclic group</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 4 3 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 Bi 1.299038 0.750000 0.000000 0 VAL=3
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 R 1.299038 2.250000 0.000000 0 VAL=1
M V30 EN... | *[Bi](*)* |$X;;X;X$,| | *[Bi](*)* |$X;;X;X$,| | <r>X</r>[Bi](<r>X</r>)<r>X</r> | null | [
{
"bbox": [
0.4091796875,
0.3876953125,
0.43359375,
0.4169921875
],
"text": "X"
},
{
"bbox": [
0.4833984375,
0.392578125,
0.5107421875,
0.4169921875
],
"text": "Bi"
},
{
"bbox": [
0.529296875,
0.3310546875,
0.55078... | ||
29 | US8076430B2_13_4.png | <markush><cxsmi><r>R10</r>[Bi](<r>R11</r>)C(<r>R12</r>)(<r>R13</r>)<r>R14</r></cxsmi><stable>R10:a C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<n>an aromatic heterocyclic group<ns>R11:a C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<n>an aromatic heterocyclic group<ns>R12:a hydrogen atom<n... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 6 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 Bi 1.299038 0.750000 0.000000 0 VAL=3
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 R 2.79... | *[Bi](*)C(*)(*)* |$R10;;R11;;R12;R13;R14$,| | *[Bi](*)C(*)(*)* |$R10;;R11;;R12;R13;R14$,| | <r>R10</r>[Bi](<r>R11</r>)C(<r>R12</r>)(<r>R13</r>)<r>R14</r> | null | [
{
"bbox": [
0.3603515625,
0.3369140625,
0.4033203125,
0.365234375
],
"text": "R13"
},
{
"bbox": [
0.3935546875,
0.3623046875,
0.439453125,
0.39453125
],
"text": "R12"
},
{
"bbox": [
0.4287109375,
0.23828125,
0.4716... | ||
30 | US8076430B2_13_5.png | <markush><cxsmi><r>R15</r>[Te]C(<r>R12</r>)(<r>R13</r>)<r>R14</r></cxsmi><stable>R15:C1-C8 alkyl group<n>an aryl group<n>a substituted aryl group<n>an aromatic heterocyclic group<ns>R12:a hydrogen atom<n>a C1-C8 alkyl group<ns>R13:a hydrogen atom<n>a C1-C8 alkyl group<ns>R14:an aryl group<n>a substituted aryl group<n>a... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 R 2.598076 1.500000 0.000000 0 VAL=1
M V30 4 R 2.049038 -0.549038 0.000000 0 VAL=1
M V30 5 Te 0.54... | *[Te]C(*)(*)* |$R15;;;R12;R13;R14$,| | *[Te]C(*)(*)* |$R15;;;R12;R13;R14$,| | <r>R15</r>[Te]C(<r>R12</r>)(<r>R13</r>)<r>R14</r> | null | [
{
"bbox": [
0.369140625,
0.365234375,
0.4091796875,
0.3916015625
],
"text": "R13"
},
{
"bbox": [
0.435546875,
0.2607421875,
0.4775390625,
0.2890625
],
"text": "R14"
},
{
"bbox": [
0.3994140625,
0.3896484375,
0.4453... | ||
31 | US20060078834A1_26_c.png | <markush><cxsmi><r>A12</r>C1=CC(=C(<r>R11</r>)C2=C([O-])C(=C(<r>Q11</r>)<r>R12</r>)C2=O)C=C(<r>A11</r>)<r>Z11</r>1</cxsmi><stable>R11:a hydrogen atom<n>a substituent<ns>R12:a hydrogen atom<n>a substituent<ns>Z11:O<n>S<n>N—R1<n>Se<n>Te<ns>Q11:a 6-membered heteocyclic group<ns>A11:a substituent<ns>A12:a substituent</stab... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 19 20 0 0 0
M V30 BEGIN ATOM
M V30 1 O 3.361771 2.747927 0.000000 0 CHG=-1 VAL=1
M V30 2 C 3.018006 0.031188 0.000000 0
M V30 3 C 3.350000 0.606218 0.000000 0
M V30 4 C 2.250000 -1.299038 0.000000 0
M V30 5 R 2.836059... | *C1=CC(=C(*)C2=C([O-])C(=C(*)*)C2=O)C=C(*)*1 |$A12;;;;;R11;;;;;;Q11;R12;;;;;A11;Z11$,| | *C1=CC(=C(*)C2=C([O-])C(=C(*)*)C2=O)C=C(*)*1 |$A12;;;;;R11;;;;;;Q11;R12;;;;;A11;Z11$,| | <r>A12</r>C1=CC(=C(<r>R11</r>)C2=C([O-])C(=C(<r>Q11</r>)<r>R12</r>)C2=O)C=C(<r>A11</r>)<r>Z11</r>1 | null | [
{
"bbox": [
0.1953125,
0.1796875,
0.2373046875,
0.2109375
],
"text": "A11"
},
{
"bbox": [
0.1953125,
0.296875,
0.236328125,
0.3349609375
],
"text": "Z11"
},
{
"bbox": [
0.1884765625,
0.423828125,
0.2373046875,
... | ||
32 | US20060078834A1_28.png | <markush><cxsmi><r>R31</r>C1=C/C(=C(\<r>R11</r>)C2=C([O-])/C(=C(\<r>R12</r>)C3=CC(C4=CC=C(<r>X1</r>)C(<r>X2</r>)=C4)=[O+]C(<r>R31</r>)=C3)C2=O)C=C(C2=CC(<r>X2</r>)=C(<r>X1</r>)C=C2)O1</cxsmi><stable>R11:the same as in Formula (1)<ns>R12:the same as in Formula (1)<ns>X1:a halogen atom<ns>X2:a halogen atom<ns>R31:alkyl g... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 40 44 0 0 0
M V30 BEGIN ATOM
M V30 1 O 1.975143 1.928650 0.000000 0 CHG=-1 VAL=1
M V30 2 C 2.611771 1.448889 0.000000 0
M V30 3 C 3.000000 -0.000000 0.000000 0
M V30 4 C 2.250000 -1.299038 0.000000 0
M V30 5 R 3.29204... | *C1=C/C(=C(\*)C2=C([O-])/C(=C(\*)C3=CC(C4=CC=C(*)C(*)=C4)=[O+]C(*)=C3)C2=O)C=C(C2=CC(*)=C(*)C=C2)O1 |$R31;;;;;R11;;;;;;R12;;;;;;;;X1;;X2;;;;R31;;;;;;;;;X2;;X1;;;$,| | *C1=C/C(=C(\*)C2=C([O-])/C(=C(\*)C3=CC(C4=CC=C(*)C(*)=C4)=[O+]C(*)=C3)C2=O)C=C(C2=CC(*)=C(*)C=C2)O1 |$R31;;;;;R11;;;;;;R12;;;;;;;;X1;;X2;;;;R31;;;;;;;;;X2;;X1;;;$,| | <r>R31</r>C1=C/C(=C(\<r>R11</r>)C2=C([O-])/C(=C(\<r>R12</r>)C3=CC(C4=CC=C(<r>X1</r>)C(<r>X2</r>)=C4)=[O+]C(<r>R31</r>)=C3)C2=O)C=C(C2=CC(<r>X2</r>)=C(<r>X1</r>)C=C2)O1 | null | [
{
"bbox": [
0.0439453125,
0.1552734375,
0.07421875,
0.181640625
],
"text": "X1"
},
{
"bbox": [
0.1806640625,
0.1572265625,
0.2158203125,
0.18359375
],
"text": "X2"
},
{
"bbox": [
0.1494140625,
0.4541015625,
0.16894... | ||
33 | US20110217348A1_18.png | <markush><cxsmi><r>R2</r>C=C(<r>R1</r>)C(=O)O<r>R3</r></cxsmi><stable>R1:C1-to C10-alkyl<n>H<ns>R2:C1-to C10-alkyl<n>H<ns>R3:C1-to C10-alkyl<n>H</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 8 7 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 C 2.598076 -0.000000 0.000000 0
M V30 4 R 3.897114 0.750000 0.000000 0 VAL=1
M V30 5 C 1.299038 2.... | *C=C(*)C(=O)O* |$R2;;;R1;;;;R3$,| | *C=C(*)C(=O)O* |$R2;;;R1;;;;R3$,| | <r>R2</r>C=C(<r>R1</r>)C(=O)O<r>R3</r> | null | [
{
"bbox": [
0.083984375,
0.3291015625,
0.1142578125,
0.3583984375
],
"text": "R2"
},
{
"bbox": [
0.1875,
0.2734375,
0.2099609375,
0.29296875
],
"text": "O"
},
{
"bbox": [
0.2939453125,
0.32421875,
0.349609375,
... | ||
34 | US20110217348A1_18_2.png | <markush><cxsmi>C<r>R4</r>C1C(=O)C(<r>R4</r>C)C(=O)C(<r>R4</r>C)C1=O|Sg:n:1,2,3,5,8,10,13,4,6,9,7,11,14: :ht</cxsmi><stable>R4:an alkylene or arylene residue</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 15 15 1 0 0
M V30 BEGIN ATOM
M V30 1 C 3.750000 -1.299038 0.000000 0
M V30 2 R 3.000000 0.000000 0.000000 0 VAL=2
M V30 3 C 1.500000 0.000000 0.000000 0
M V30 4 C 0.750000 -1.299038 0.000000 0
M V30 5 O 1.500000 -2.59... | C*C1C(=O)C(*C)C(=O)C(*C)C1=O |$;R4;;;;;R4;;;;;R4;;;$,Sg:n:1,2,3,5,8,10,13,4,6,9,7,11,14: :ht:::,| | C*C1C(=O)C(*C)C(=O)C(*C)C1=O |$;R4;;;;;R4;;;;;R4;;;$,Sg:n:1,2,3,5,8,10,13,4,6,9,7,11,14: :ht:::,| | C<r>R4</r>C1C(=O)C(<r>R4</r>C)C(=O)C(<r>R4</r>C)C1=O|Sg:n:1,2,3,5,8,10,13,4,6,9,7,11,14: :ht | null | [
{
"bbox": [
0.1455078125,
0.529296875,
0.1845703125,
0.5625
],
"text": "R4"
},
{
"bbox": [
0.140625,
0.3525390625,
0.169921875,
0.3818359375
],
"text": "O"
},
{
"bbox": [
0.2998046875,
0.2568359375,
0.3427734375,
... | ||
35 | US20200041896A1_18.png | <markush><cxsmi><r>R32</r>O[Sn](<r>L</r>[Sn](O<r>R35</r>)(OC(<r>R34</r>)=O)OC(<r>R36</r>)=O)(OC(<r>R31</r>)=O)OC(<r>R33</r>)=O</cxsmi><stable>R31:a substituted or unsubstituted C1 to C10 alkyl group<n>a substituted or unsubstituted C3 to C20 cycloalkyll group<n>a substituted or unsubstituted C2 to C8 alkenyl group<n>a ... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 23 22 0 0 0
M V30 BEGIN ATOM
M V30 1 R -1.299038 2.250000 0.000000 0 VAL=1
M V30 2 C -0.000000 3.000000 0.000000 0
M V30 3 O -0.000000 4.500000 0.000000 0
M V30 4 O 1.299038 2.250000 0.000000 0
M V30 5 Sn 2.598076 3.0... | *O[Sn](*[Sn](O*)(OC(*)=O)OC(*)=O)(OC(*)=O)OC(*)=O |$R32;;;L;;;R35;;;R34;;;;R36;;;;R31;;;;R33;$,| | *O[Sn](*[Sn](O*)(OC(*)=O)OC(*)=O)(OC(*)=O)OC(*)=O |$R32;;;L;;;R35;;;R34;;;;R36;;;;R31;;;;R33;$,| | <r>R32</r>O[Sn](<r>L</r>[Sn](O<r>R35</r>)(OC(<r>R34</r>)=O)OC(<r>R36</r>)=O)(OC(<r>R31</r>)=O)OC(<r>R33</r>)=O | null | [
{
"bbox": [
0.1513671875,
0.13671875,
0.1884765625,
0.166015625
],
"text": "R31"
},
{
"bbox": [
0.212890625,
0.0498046875,
0.2353515625,
0.068359375
],
"text": "O"
},
{
"bbox": [
0.26953125,
0.1416015625,
0.2880859... | ||
36 | WO2000004894A2_34.png | <markush><cxsmi><r>M</r>OC(=O)CCC(NC(=O)CC(<r>R</r>)(<r>R1</r>)<r>R2</r>)C(N)=O|Sg:n:10:n:ht</cxsmi><stable>R:H<n>lower alkoxy (C1-6)<n>lower alkyl (C1-6)<ns>R1:H<n>lower alkoxy (C1-6)<n>lower alkyl (C1-6)<ns>R2:Formula II</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 17 1 0 0
M V30 BEGIN ATOM
M V30 1 N 9.093267 0.750000 0.000000 0
M V30 2 C 7.794229 -0.000000 0.000000 0
M V30 3 O 7.794229 -1.500000 0.000000 0
M V30 4 C 6.495191 0.750000 0.000000 0
M V30 5 C 5.196152 -0.000000 0... | *OC(=O)CCC(NC(=O)CC(*)(*)*)C(N)=O |$M;;;;;;;;;;;;R;R1;R2;;;$,Sg:n:10:n:ht:::,| | *OC(=O)CCC(NC(=O)CC(*)(*)*)C(N)=O |$M;;;;;;;;;;;;R;R1;R2;;;$,Sg:n:10:n:ht:::,| | <r>M</r>OC(=O)CCC(NC(=O)CC(<r>R</r>)(<r>R1</r>)<r>R2</r>)C(N)=O|Sg:n:10:n:ht | null | [
{
"bbox": [
0.109375,
0.41796875,
0.134765625,
0.4443359375
],
"text": "R2"
},
{
"bbox": [
0.19140625,
0.34375,
0.2109375,
0.3681640625
],
"text": "R"
},
{
"bbox": [
0.193359375,
0.48828125,
0.21875,
0.522460... | ||
37 | WO2020146194A1_22_c.png | <markush><cxsmi><r>R1</r>C1=NO<r>X</r>=C1C(=O)N[C@H](C1=CN2N=CC(C(<r>R2</r>)N3C[C@@H](C(F)(F)F)NC3=O)=CC2=N1)C1CCC(F)(F)CC1</cxsmi><stable>X:CH<n>N<ns>R1:-CH3<n>-CH2F<n>-CHF2<n>-CF3<n>-CH2CH3<n>-CH2CF3<n>-CH(CH3)2<n>-CH2CHF2<n>-CH2CH2F<n>-CF(CH3)2<n>-CF2CH3<n>-OCH3<ns>R2:-H<n>-CH2OCH3</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 39 43 0 0 0
M V30 BEGIN ATOM
M V30 1 F 7.735314 -0.084720 0.000000 0
M V30 2 C 6.521788 -0.966398 0.000000 0
M V30 3 F 7.403466 -2.179924 0.000000 0
M V30 4 F 5.640110 0.247127 0.000000 0
M V30 5 C 5.308263 -1.848076 ... | *C1=NO*=C1C(=O)N[C@H](C1=CN2N=CC(C(*)N3C[C@@H](C(F)(F)F)NC3=O)=CC2=N1)C1CCC(F)(F)CC1 |$R1;;;;X;;;;;;;;;;;;;R2;;;;;;;;;;;;;;;;;;;;;$,| | *C1=NO*=C1C(=O)N[C@H](C1=CN2N=CC(C(*)N3C[C@@H](C(F)(F)F)NC3=O)=CC2=N1)C1CCC(F)(F)CC1 |$R1;;;;X;;;;;;;;;;;;;R2;;;;;;;;;;;;;;;;;;;;;$,| | <r>R1</r>C1=NO<r>X</r>=C1C(=O)N[C@H](C1=CN2N=CC(C(<r>R2</r>)N3C[C@@H](C(F)(F)F)NC3=O)=CC2=N1)C1CCC(F)(F)CC1 | null | [
{
"bbox": [
0.2177734375,
0.22265625,
0.234375,
0.244140625
],
"text": "O"
},
{
"bbox": [
0.244140625,
0.1875,
0.259765625,
0.2060546875
],
"text": "N"
},
{
"bbox": [
0.326171875,
0.158203125,
0.349609375,
0.... | ||
38 | US6239192_9_2.png | <markush><cxsmi><r>R1</r>NC1=NC(N<r>R2</r>)=NC(N<r>R3</r>)=N1</cxsmi><stable>R1:cyclopropyl<n>isopropyl<ns>R2:hydrogen<n>halogen<n>C1-C12-alkylcarbonyl<n>cyclopropylcarbonyl<n>C1-C12-alkylcarbamoyl<n>C1-C12-alkylthiocarbamoyl<n>C2-C6-alkenylcarbamoyl<ns>R3:hydrogen<n>C1-C12-alkyl<n>cyclopropyl<n>C2-C6-alkenyl<n>C1-C12-... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 12 12 0 0 0
M V30 BEGIN ATOM
M V30 1 R 3.750000 -1.299038 0.000000 0 VAL=1
M V30 2 N 3.000000 0.000000 0.000000 0
M V30 3 C 1.500000 0.000000 0.000000 0
M V30 4 N 0.750000 -1.299038 0.000000 0
M V30 5 C -0.750000 -1.2... | *NC1=NC(N*)=NC(N*)=N1 |$R1;;;;;;R2;;;;R3;$,| | *NC1=NC(N*)=NC(N*)=N1 |$R1;;;;;;R2;;;;R3;$,| | <r>R1</r>NC1=NC(N<r>R2</r>)=NC(N<r>R3</r>)=N1 | null | [
{
"bbox": [
0.1298828125,
0.3505859375,
0.1591796875,
0.37890625
],
"text": "R2"
},
{
"bbox": [
0.205078125,
0.3466796875,
0.2490234375,
0.3720703125
],
"text": "N"
},
{
"bbox": [
0.2626953125,
0.248046875,
0.28613... | ||
39 | US6444415_41.png | <markush><cxsmi><r>R''</r>C1=CC(<r>R'</r>)=C(O)C(C(<r>R</r>)C2=C(O)C(<r>R'</r>)=CC(<r>R''</r>)=C2)=C1</cxsmi><stable>R:a hydrogen atom<n>an alkyl group having from 1 to 10 carbon atoms<ns>R':an alkyl group having from 1 to 5 carbon atoms<ns>R'':an alkyl group having from 1 to 5 carbon atoms</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 20 21 0 0 0
M V30 BEGIN ATOM
M V30 1 O 2.402755 1.197929 0.000000 0
M V30 2 C 0.800000 0.000000 0.000000 0
M V30 3 C 0.350000 -0.606218 0.000000 0
M V30 4 C -0.400000 -0.692820 0.000000 0
M V30 5 C -0.700000 0.000000 ... | *C1=CC(*)=C(O)C(C(*)C2=C(O)C(*)=CC(*)=C2)=C1 |$R'';;;;R';;;;;R;;;;;R';;;R'';;$,| | *C1=CC(*)=C(O)C(C(*)C2=C(O)C(*)=CC(*)=C2)=C1 |$R'';;;;R';;;;;R;;;;;R';;;R'';;$,| | <r>R''</r>C1=CC(<r>R'</r>)=C(O)C(C(<r>R</r>)C2=C(O)C(<r>R'</r>)=CC(<r>R''</r>)=C2)=C1 | null | [
{
"bbox": [
0.158203125,
0.3203125,
0.1826171875,
0.34375
],
"text": "R'"
},
{
"bbox": [
0.2763671875,
0.2568359375,
0.3193359375,
0.27734375
],
"text": "O"
},
{
"bbox": [
0.27734375,
0.5224609375,
0.30859375,
... | ||
40 | US6538013_36.png | <markush><cxsmi><r>R</r>C(=O)OC(<r>R2'</r>)(<r>R2</r>)OC(=O)N(<r>U</r>)/C(=C/N(=O)=O)N(<r>T</r>)<r>R1</r></cxsmi><stable>R:C1-C20alkyl<ns>T:hydrogen<n>methyl<n>ethyl<ns>U:hydrogen<n>methyl<n>ethyl<ns>R2:hydrogen<n>C1-C6alkyl<ns>R2':hydrogen<n>C1-C6alkyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 20 19 0 0 0
M V30 BEGIN ATOM
M V30 1 R -2.250000 1.299038 0.000000 0 VAL=1
M V30 2 N -0.750000 1.299038 0.000000 0
M V30 3 R 0.000000 2.598076 0.000000 0 VAL=1
M V30 4 C 0.000000 0.000000 0.000000 0
M V30 5 C 1.500000... | *C(=O)OC(*)(*)OC(=O)N(*)/C(=C/N(=O)=O)N(*)* |$R;;;;;R2';R2;;;;;U;;;;;;;T;R1$,| | *C(=O)OC(*)(*)OC(=O)N(*)/C(=C/N(=O)=O)N(*)* |$R;;;;;R2';R2;;;;;U;;;;;;;T;R1$,| | <r>R</r>C(=O)OC(<r>R2'</r>)(<r>R2</r>)OC(=O)N(<r>U</r>)/C(=C/N(=O)=O)N(<r>T</r>)<r>R1</r> | null | [
{
"bbox": [
0.2578125,
0.041015625,
0.30859375,
0.064453125
],
"text": "O2N"
},
{
"bbox": [
0.2255859375,
0.130859375,
0.2509765625,
0.16015625
],
"text": "R1"
},
{
"bbox": [
0.2890625,
0.1640625,
0.30859375,
... | ||
41 | US8076430B2_13_3.png | <markush><cxsmi><r>Y</r>SC1=C(<r>R5</r>)C(<r>R6</r>)=C(<r>R7</r>)C(<r>R8</r>)=C1<r>R4</r></cxsmi><stable>Y:hydrogen atom or an alkali metal<ns>R4:a C3-C8 alkyl group<n>an aryl group<n>a substituted aryl group<ns>R5:a C3-C8 alkyl group<n>an aryl group<n>a substituted aryl group<ns>R6:a hydrogen atom<n>a C1-C8 alkyl grou... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 13 0 0 0
M V30 BEGIN ATOM
M V30 1 R 3.750000 1.299038 0.000000 0 VAL=1
M V30 2 S 2.250000 1.299038 0.000000 0
M V30 3 C 0.800000 0.000000 0.000000 0
M V30 4 C 0.350000 -0.606218 0.000000 0
M V30 5 R -1.042046 1.078... | *SC1=C(*)C(*)=C(*)C(*)=C1* |$Y;;;;R5;;R6;;R7;;R8;;R4$,| | *SC1=C(*)C(*)=C(*)C(*)=C1* |$Y;;;;R5;;R6;;R7;;R8;;R4$,| | <r>Y</r>SC1=C(<r>R5</r>)C(<r>R6</r>)=C(<r>R7</r>)C(<r>R8</r>)=C1<r>R4</r> | null | [
{
"bbox": [
0.298828125,
0.349609375,
0.318359375,
0.3779296875
],
"text": "Y"
},
{
"bbox": [
0.369140625,
0.349609375,
0.384765625,
0.376953125
],
"text": "S"
},
{
"bbox": [
0.4326171875,
0.2314453125,
0.462890625... | ||
42 | US9372402B2_19.png | <markush><cxsmi><r>R1</r>C.<r>R2</r>C.C1=CN=C(C2=NC=CC=C2)C=C1|m:1:4.5.6.7.14.15,m:3:8.9.10.11.12.13</cxsmi><stable>R1:one substituent<n>two substituent<n>three substituent<ns>R2:one substituent<n>two substituent<n>three substituent</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 16 15 0 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 3.049038 0.000000 0
M V30 2 R 0.000000 2.299038 0.000000 0 VAL=1
M V30 3 C 1.299038 4.799038 0.000000 0
M V30 4 R 0.000000 4.049038 0.000000 0 VAL=1
M V30 5 C 1.500000 0... | *C.*C.C1=CN=C(C2=NC=CC=C2)C=C1 |$R1;;R2;;;;;;;;;;;;;$,m:1:4.5.15.6.7.14,m:3:13.8.9.10.12.11| | *C.*C.C1=CN=C(C2=NC=CC=C2)C=C1 |$R1;;R2;;;;;;;;;;;;;$,m:1:4.5.15.6.7.14,m:3:13.8.9.10.12.11| | <r>R1</r>C.<r>R2</r>C.C1=CN=C(C2=NC=CC=C2)C=C1|m:1:4.5.6.7.14.15,m:3:8.9.10.11.12.13 | null | [
{
"bbox": [
0.0849609375,
0.181640625,
0.11328125,
0.208984375
],
"text": "R1"
},
{
"bbox": [
0.2177734375,
0.2958984375,
0.23828125,
0.3193359375
],
"text": "N"
},
{
"bbox": [
0.3583984375,
0.2958984375,
0.3769531... | ||
43 | US20210149301A1_106.png | <markush><cxsmi>*<r>R21</r>.<r>RA</r>C(C)(<r>YA</r>C1=CC=CC=C1)C([H])([H])C.*O|Sg:n:17:b:ht,Sg:n:1:c:ht,Sg:n:13,12,14,3,2,5,6,7,8,9,10,11: :ht,m:16:6.7.8.9.10.11,m:0:6.7.8.9.10.11</cxsmi><stable>RA:hydrogen<n>methyl<ns>YA:a single bond<n>a ester bond<ns>R21:fluorine<n>iodine<n>a C1-C10 hydrocarbyl group<ns>b:1-5<ns>c:0... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 16 3 0 0
M V30 BEGIN ATOM
M V30 1 H 4.299038 0.750000 0.000000 0
M V30 2 C 5.049038 -0.549038 0.000000 0
M V30 3 H 5.799038 -1.848076 0.000000 0
M V30 4 C 6.348076 0.200962 0.000000 0
M V30 5 C 3.750000 -1.299038 0... | *C.*C(C)(*C1=CC=CC=C1)C([H])([H])C.*O |$;R21;RA;;;YA;;;;;;;;;;;;$,,,,Sg:n:17:b:ht:::,Sg:n:1:c:ht:::,Sg:n:13,12,14,3,2,5,6,7,8,9,10,11: :ht:::,m:16:6.7.8.9.10.11,m:0:6.7.8.9.10.11| | *C.*C(C)(*C1=CC=CC=C1)C([H])([H])C.*O |$;R21;RA;;;YA;;;;;;;;;;;;$,,,,Sg:n:17:b:ht:::,Sg:n:1:c:ht:::,Sg:n:13,12,14,3,2,5,6,7,8,9,10,11: :ht:::,m:16:6.7.8.9.10.11,m:0:6.7.8.9.10.11| | *<r>R21</r>.<r>RA</r>C(C)(<r>YA</r>C1=CC=CC=C1)C([H])([H])C.*O|Sg:n:17:b:ht,Sg:n:1:c:ht,Sg:n:13,12,14,3,2,5,6,7,8,9,10,11: :ht,m:16:6.7.8.9.10.11,m:0:6.7.8.9.10.11 | null | [
{
"bbox": [
0.3720703125,
0.181640625,
0.388671875,
0.205078125
],
"text": "H"
},
{
"bbox": [
0.3671875,
0.2998046875,
0.3896484375,
0.32421875
],
"text": "H"
},
{
"bbox": [
0.5029296875,
0.1796875,
0.537109375,
... | ||
44 | WO2002010163A1_30.png | <markush><cxsmi><r>R1</r>C1=C(<r>R</r>)OC(C(<r>L</r>)(<r>R2</r>)<r>R3</r>)=N1</cxsmi><stable>R:as described hereinabove<ns>R1:as described hereinabove<ns>R2:as described hereinabove<ns>R3:as described hereinabove<ns>L:halogen<n>sulfonate</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 11 11 0 0 0
M V30 BEGIN ATOM
M V30 1 R -1.987380 0.000000 0.000000 0 VAL=1
M V30 2 C -0.487380 0.000000 0.000000 0
M V30 3 C 0.394298 1.213525 0.000000 0
M V30 4 R 1.607824 2.095203 0.000000 0 VAL=1
M V30 5 N 0.394298... | *C1=C(*)OC(C(*)(*)*)=N1 |$R1;;;R;;;;L;R2;R3;$,| | *C1=C(*)OC(C(*)(*)*)=N1 |$R1;;;R;;;;L;R2;R3;$,| | <r>R1</r>C1=C(<r>R</r>)OC(C(<r>L</r>)(<r>R2</r>)<r>R3</r>)=N1 | null | [
{
"bbox": [
0.5849609375,
0.2275390625,
0.6201171875,
0.263671875
],
"text": "R1"
},
{
"bbox": [
0.5849609375,
0.359375,
0.6103515625,
0.3876953125
],
"text": "R"
},
{
"bbox": [
0.6806640625,
0.3408203125,
0.708984... | ||
45 | US9029365_37_c.png | <markush><cxsmi><r>R2</r>C1=CC(C(=O)N(<r>R4a</r>)<r>R4b</r>)=C(NC(=O)C2=CC(<r>R3</r>)=NN2C2=C(<r>R5</r>)C=CC=N2)C(<r>R1</r>)=C1</cxsmi><stable>R1:CH3<n>F<n>Cl<n>Br<ns>R2:F<n>Cl<n>Br<n>I<n>CF3<ns>R3:CF3<n>Cl<n>Br<n>OCH2CF3<ns>R4a:C1-C4 alkyl<ns>R4b:H<n>CH3<ns>R5:Cl<n>Br</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 31 0 0 0
M V30 BEGIN ATOM
M V30 1 R 5.250000 -1.299038 0.000000 0 VAL=1
M V30 2 N 3.750000 -1.299038 0.000000 0
M V30 3 R 3.000000 -2.598076 0.000000 0 VAL=1
M V30 4 C 3.000000 0.000000 0.000000 0
M V30 5 O 3.75000... | *C1=CC(C(=O)N(*)*)=C(NC(=O)C2=CC(*)=NN2C2=C(*)C=CC=N2)C(*)=C1 |$R2;;;;;;;R4a;R4b;;;;;;;;R3;;;;;R5;;;;;;R1;$,| | *C1=CC(C(=O)N(*)*)=C(NC(=O)C2=CC(*)=NN2C2=C(*)C=CC=N2)C(*)=C1 |$R2;;;;;;;R4a;R4b;;;;;;;;R3;;;;;R5;;;;;;R1;$,| | <r>R2</r>C1=CC(C(=O)N(<r>R4a</r>)<r>R4b</r>)=C(NC(=O)C2=CC(<r>R3</r>)=NN2C2=C(<r>R5</r>)C=CC=N2)C(<r>R1</r>)=C1 | null | [
{
"bbox": [
0.248046875,
0.54296875,
0.2890625,
0.58203125
],
"text": "R2"
},
{
"bbox": [
0.408203125,
0.28125,
0.447265625,
0.3154296875
],
"text": "R1"
},
{
"bbox": [
0.5625,
0.548828125,
0.775390625,
0.585... | ||
46 | US9372402B2_19_2.png | <markush><cxsmi><r>R1</r>C.<r>R2</r>C.OC1=CC=CC=C1/C=N/CC/N=C\C1=C(O)C=CC=C1|m:1:5.6.7.8.9.10,m:3:17.18.20.21.22.23</cxsmi><stable>R1:one substituent<n>two substituent<n>three substituent<ns>R2:one substituent<n>two substituent<n>three substituent</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 23 0 0 0
M V30 BEGIN ATOM
M V30 1 O 2.250000 1.299038 0.000000 0
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 C 0.750000 -1.299038 0.000000 0
M V30 4 C -0.750000 -1.299038 0.000000 0
M V30 5 C -1.500000 0.000000 ... | *C.*C.OC1=CC=CC=C1/C=N/CC/N=C\C1=C(O)C=CC=C1 |$R1;;R2;;;;;;;;;;;;;;;;;;;;;$,m:1:7.8.6.9.10.5,m:3:20.18.21.22.23.17| | *C.*C.OC1=CC=CC=C1/C=N/CC/N=C\C1=C(O)C=CC=C1 |$R1;;R2;;;;;;;;;;;;;;;;;;;;;$,m:1:7.8.6.9.10.5,m:3:20.18.21.22.23.17| | <r>R1</r>C.<r>R2</r>C.OC1=CC=CC=C1/C=N/CC/N=C\C1=C(O)C=CC=C1|m:1:5.6.7.8.9.10,m:3:17.18.20.21.22.23 | null | [
{
"bbox": [
0.0927734375,
0.0947265625,
0.1220703125,
0.1220703125
],
"text": "R1"
},
{
"bbox": [
0.26171875,
0.2529296875,
0.30859375,
0.2802734375
],
"text": "O"
},
{
"bbox": [
0.30859375,
0.0927734375,
0.3291015... | ||
47 | US20220213127A1_51.png | <markush><cxsmi><r>R32</r>C1=C(<r>R31</r>)C2=C(C(<r>R34</r>)=C1<r>R33</r>)N(<r>R1</r>)C1=C3B2C2=C(C4=C(<r>Y3</r>C5=C4<r>Z4</r>=<r>Z3</r><r>Z2</r>=<r>Z1</r>5)C=C2)N(<r>R1</r>)C3=C(<r>R36</r>)C(<r>R35</r>)=C1<r>R37</r></cxsmi><stable>R31:hydrogen<n>deuterium<n>C1 to C10 alkyl group unsubstituted or substituted with deute... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 37 43 0 0 0
M V30 BEGIN ATOM
M V30 1 R -1.370318 -2.373461 0.000000 0 VAL=1
M V30 2 N -0.000000 -2.983566 0.000000 0
M V30 3 C 1.213525 -2.101888 0.000000 0
M V30 4 C 1.370318 -3.593671 0.000000 0
M V30 5 C 2.583844 -... | *C1=C(*)C2=C(C(*)=C1*)N(*)C1=C3B2C2=C(C4=C(*C5=C4*=**=*5)C=C2)N(*)C3=C(*)C(*)=C1* |$R32;;;R31;;;;R34;;R33;;R1;;;;;;;;Y3;;;Z4;Z3;Z2;Z1;;;;R1;;;R36;;R35;;R37$,| | *C1=C(*)C2=C(C(*)=C1*)N(*)C1=C3B2C2=C(C4=C(*C5=C4*=**=*5)C=C2)N(*)C3=C(*)C(*)=C1* |$R32;;;R31;;;;R34;;R33;;R1;;;;;;;;Y3;;;Z4;Z3;Z2;Z1;;;;R1;;;R36;;R35;;R37$,| | <r>R32</r>C1=C(<r>R31</r>)C2=C(C(<r>R34</r>)=C1<r>R33</r>)N(<r>R1</r>)C1=C3B2C2=C(C4=C(<r>Y3</r>C5=C4<r>Z4</r>=<r>Z3</r><r>Z2</r>=<r>Z1</r>5)C=C2)N(<r>R1</r>)C3=C(<r>R36</r>)C(<r>R35</r>)=C1<r>R37</r> | null | [
{
"bbox": [
0.216796875,
0.0927734375,
0.2509765625,
0.1181640625
],
"text": "R33"
},
{
"bbox": [
0.3291015625,
0.04296875,
0.3623046875,
0.064453125
],
"text": "R32"
},
{
"bbox": [
0.216796875,
0.2001953125,
0.249... | ||
48 | WO2000043362A1_41.png | <markush><cxsmi><r>Z</r><r>E</r>C1=CC=C(S(=O)(=O)C2CCN(CC(<r>R13</r>)(<r>R14</r>)C3=CC=C(<r>R11</r>)C=C3<r>R12</r>)CC2)C=C1.<r>R21</r>C|m:30:2.3.4.5.27.28</cxsmi><stable>Z:as defined in claim 1<ns>E:as defined in claim 1<ns>R11:as defined in claim 3<ns>R12:as defined in claim 3<ns>R13:as defined in claim 3<ns>R14:as de... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 31 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 3.205424 0.000000 0
M V30 2 R 0.000000 2.455424 0.000000 0 VAL=1
M V30 3 R 4.042046 -1.078954 0.000000 0 VAL=1
M V30 4 R 3.000000 0.000000 0.000000 0 VAL=2
M V30 5 C 1.5... | **C1=CC=C(S(=O)(=O)C2CCN(CC(*)(*)C3=CC=C(*)C=C3*)CC2)C=C1.*C |$Z;E;;;;;;;;;;;;;;R13;R14;;;;;R11;;;R12;;;;;R21;$,m:30:2.28.27.5.3.4| | **C1=CC=C(S(=O)(=O)C2CCN(CC(*)(*)C3=CC=C(*)C=C3*)CC2)C=C1.*C |$Z;E;;;;;;;;;;;;;;R13;R14;;;;;R11;;;R12;;;;;R21;$,m:30:2.28.27.5.3.4| | <r>Z</r><r>E</r>C1=CC=C(S(=O)(=O)C2CCN(CC(<r>R13</r>)(<r>R14</r>)C3=CC=C(<r>R11</r>)C=C3<r>R12</r>)CC2)C=C1.<r>R21</r>C|m:30:2.3.4.5.27.28 | null | [
{
"bbox": [
0.3095703125,
0.33203125,
0.3291015625,
0.3544921875
],
"text": "E"
},
{
"bbox": [
0.3486328125,
0.482421875,
0.3857421875,
0.5078125
],
"text": "R21"
},
{
"bbox": [
0.5009765625,
0.4384765625,
0.523437... | ||
49 | WO2001014360A2_33_c.png | <markush><cxsmi>*C=CC1=CC=C(C(=O)O<r>R1</r>)C=C1.<r>R3</r>OCC1(<r>R2</r>)CC<r>X</r>C2=C1C=CC=C2|Sg:n:18:n:ht,m:0:21.22.23.24.25.26</cxsmi><stable>R2:lower alkyl<ns>R3:lower alkyl<n>H<ns>X:oxygen<n>sulfur<ns>n:1-2</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 28 1 0 0
M V30 BEGIN ATOM
M V30 1 A 5.250000 -1.299038 0.000000 0
M V30 2 C 3.750000 -1.299038 0.000000 0
M V30 3 C 3.000000 0.000000 0.000000 0
M V30 4 C 1.500000 0.000000 0.000000 0
M V30 5 C 0.750000 -1.299038 0... | *C=CC1=CC=C(C(=O)O*)C=C1.*OCC1(*)CC*C2=C1C=CC=C2 |$;;;;;;;;;;R1;;;R3;;;;R2;;;X;;;;;;$,Sg:n:18:n:ht:::,m:0:25.26.24.21.22.23| | *C=CC1=CC=C(C(=O)O*)C=C1.*OCC1(*)CC*C2=C1C=CC=C2 |$;;;;;;;;;;R1;;;R3;;;;R2;;;X;;;;;;$,Sg:n:18:n:ht:::,m:0:25.26.24.21.22.23| | *C=CC1=CC=C(C(=O)O<r>R1</r>)C=C1.<r>R3</r>OCC1(<r>R2</r>)CC<r>X</r>C2=C1C=CC=C2|Sg:n:18:n:ht,m:0:21.22.23.24.25.26 | null | [
{
"bbox": [
0.1005859375,
0.26171875,
0.11328125,
0.275390625
],
"text": "n"
},
{
"bbox": [
0.0927734375,
0.2802734375,
0.1201171875,
0.3095703125
],
"text": "R2"
},
{
"bbox": [
0.1591796875,
0.326171875,
0.1748046... | ||
50 | WO2002010163A1_24.png | <markush><cxsmi><r>X</r>C(=O)C(<r>L</r>)(<r>R2</r>)<r>R3</r></cxsmi><stable>R2:as described hereinabove<ns>R3:as described hereinabove<ns>L:as described hereinabove<ns>X:hydroxy<n>halogen<n>acyloxy</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 6 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 O 1.299038 2.250000 0.000000 0
M V30 4 C 2.598076 -0.000000 0.000000 0
M V30 5 R 3.348076 1.299038... | *C(=O)C(*)(*)* |$X;;;;L;R2;R3$,| | *C(=O)C(*)(*)* |$X;;;;L;R2;R3$,| | <r>X</r>C(=O)C(<r>L</r>)(<r>R2</r>)<r>R3</r> | null | [
{
"bbox": [
0.7998046875,
0.3095703125,
0.818359375,
0.341796875
],
"text": "X"
},
{
"bbox": [
0.84375,
0.23828125,
0.8642578125,
0.26171875
],
"text": "O"
},
{
"bbox": [
0.86328125,
0.3525390625,
0.8994140625,
... | ||
51 | WO2002010163A1_25.png | <markush><cxsmi><r>R6</r>C.<r>R7</r>C.<r>X</r>C(=O)C1CCN(<r>P</r>)C1|Sg:n:8:m:ht,Sg:n:12:n:ht,m:1:7.8.9.10.12,m:3:7.8.9.10.12</cxsmi><stable>R6:as described hereinabove<ns>R7:as described hereinabove<ns>X:as described hereinabove<ns>P:nitrogen-protecting group<ns>m:0-5<ns>n:0-5</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 11 2 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 2.963525 0.000000 0
M V30 2 R 0.000000 2.213525 0.000000 0 VAL=1
M V30 3 C 1.299038 4.713525 0.000000 0
M V30 4 R 0.000000 3.963525 0.000000 0 VAL=1
M V30 5 R 2.775976 0... | *C.*C.*C(=O)C1CCN(*)C1 |$R6;;R7;;X;;;;;;;P;$,,,Sg:n:8:m:ht:::,Sg:n:12:n:ht:::,m:1:7.8.9.12.10,m:3:7.8.9.12.10| | *C.*C.*C(=O)C1CCN(*)C1 |$R6;;R7;;X;;;;;;;P;$,,,Sg:n:8:m:ht:::,Sg:n:12:n:ht:::,m:1:7.8.9.12.10,m:3:7.8.9.12.10| | <r>R6</r>C.<r>R7</r>C.<r>X</r>C(=O)C1CCN(<r>P</r>)C1|Sg:n:8:m:ht,Sg:n:12:n:ht,m:1:7.8.9.10.12,m:3:7.8.9.10.12 | null | [
{
"bbox": [
0.68359375,
0.1650390625,
0.70703125,
0.1923828125
],
"text": "O"
},
{
"bbox": [
0.68359375,
0.2568359375,
0.70703125,
0.2880859375
],
"text": "X"
},
{
"bbox": [
0.8359375,
0.1904296875,
0.857421875,
... | ||
52 | WO2002010163A1_29.png | <markush><cxsmi><r>R</r>C(=O)C(<r>L</r>)<r>R1</r></cxsmi><stable>R:as described hereinabove<ns>R1:as described hereinabove<ns>L:as described hereinabove</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 R 2.598076 3.... | *C(=O)C(*)* |$R;;;;L;R1$,| | *C(=O)C(*)* |$R;;;;L;R1$,| | <r>R</r>C(=O)C(<r>L</r>)<r>R1</r> | null | [
{
"bbox": [
0.82421875,
0.259765625,
0.8505859375,
0.2900390625
],
"text": "O"
},
{
"bbox": [
0.7724609375,
0.34765625,
0.798828125,
0.3798828125
],
"text": "R"
},
{
"bbox": [
0.87890625,
0.3994140625,
0.9169921875... | ||
53 | 11279716_34_c1.png | <markush><cxsmi><r>R3</r>C1=C(<r>R2</r>)C(<r>R1</r>)=[N+]2C1=C(<r>R4</r>)C1=C(<r>R5</r>)C(<r>R6</r>)=C(<r>R7</r>)N1[B-]2(<r>X2</r>)<r>X1</r></cxsmi><stable>R2:a cyano group<ns>R6:hydrogen<ns>R4:a substituted or unsubstituted aryl group<ns>R1:a substituted or unsubstituted cycloalkyl group<n>a substituted or unsubstitut... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 21 23 0 0 0
M V30 BEGIN ATOM
M V30 1 R -1.987380 0.000000 0.000000 0 VAL=1
M V30 2 C -0.487380 0.000000 0.000000 0
M V30 3 C 0.394298 1.213525 0.000000 0
M V30 4 R 1.607824 2.095203 0.000000 0 VAL=1
M V30 5 C 0.394298... | *C1=C(*)C(*)=[N+]2C1=C(*)C1=C(*)C(*)=C(*)N1[B-]2(*)* |$R3;;;R2;;R1;;;;R4;;;R5;;R6;;R7;;;X2;X1$,| | *C1=C(*)C(*)=[N+]2C1=C(*)C1=C(*)C(*)=C(*)N1[B-]2(*)* |$R3;;;R2;;R1;;;;R4;;;R5;;R6;;R7;;;X2;X1$,| | <r>R3</r>C1=C(<r>R2</r>)C(<r>R1</r>)=[N+]2C1=C(<r>R4</r>)C1=C(<r>R5</r>)C(<r>R6</r>)=C(<r>R7</r>)N1[B-]2(<r>X2</r>)<r>X1</r> | null | [
{
"bbox": [
0.0859375,
0.2099609375,
0.119140625,
0.2353515625
],
"text": "R6"
},
{
"bbox": [
0.189453125,
0.083984375,
0.2197265625,
0.107421875
],
"text": "R5"
},
{
"bbox": [
0.337890625,
0.072265625,
0.369140625... | ||
54 | US8362048B2_131_c1.png | <markush><cxsmi><r>Y</r>C1=CC(C2=NC(C3=C4CC[C@H](<r>X</r>)C4=CC=C3)=NO2)=CC=C1OC(C)C</cxsmi><stable>X:NH2<n>NHC(=O)CH3<n>NHCH2COOH<ns>Y:CN</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 26 29 0 0 0
M V30 BEGIN ATOM
M V30 1 C 0.910834 -3.461993 0.000000 0
M V30 2 C 2.281152 -2.851888 0.000000 0
M V30 3 C 3.494677 -3.733566 0.000000 0
M V30 4 O 2.437944 -1.360105 0.000000 0
M V30 5 C 5.403124 -1.715470... | *C1=CC(C2=NC(C3=C4CC[C@H](*)C4=CC=C3)=NO2)=CC=C1OC(C)C |$Y;;;;;;;;;;;;X;;;;;;;;;;;;;$,| | *C1=CC(C2=NC(C3=C4CC[C@H](*)C4=CC=C3)=NO2)=CC=C1OC(C)C |$Y;;;;;;;;;;;;X;;;;;;;;;;;;;$,| | <r>Y</r>C1=CC(C2=NC(C3=C4CC[C@H](<r>X</r>)C4=CC=C3)=NO2)=CC=C1OC(C)C | null | [
{
"bbox": [
0.244140625,
0.294921875,
0.2685546875,
0.3203125
],
"text": "O"
},
{
"bbox": [
0.310546875,
0.4091796875,
0.3369140625,
0.4365234375
],
"text": "Y"
},
{
"bbox": [
0.5556640625,
0.23828125,
0.5771484375... | ||
55 | US8980898B2_40.png | <markush><cxsmi><r>A1</r>CCCCNC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N</cxsmi><stable>A1:phenyl<n>indenyl<n>napthalenyl<n>1,2-dihydronapthalenyl<n>1,2,3,4-tetrahydronapthalenyl<n>anthracenyl<n>fluorenyl<n>phenanthrenyl<n>azulenyl<n>cyclohepta-1,3,5-trienyl<n>5H-dibenzo[a,d]cycloheptenyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 20 20 0 0 0
M V30 BEGIN ATOM
M V30 1 N 2.250000 1.299038 0.000000 0
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 N 0.750000 -1.299038 0.000000 0
M V30 4 C -0.750000 -1.299038 0.000000 0
M V30 5 N -1.500000 -2.598076... | *CCCCNC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N |$A1;;;;;;;;;;;;;;;;;;;$,| | *CCCCNC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N |$A1;;;;;;;;;;;;;;;;;;;$,| | <r>A1</r>CCCCNC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N | null | [
{
"bbox": [
0.138671875,
0.3115234375,
0.166015625,
0.3369140625
],
"text": "Cl"
},
{
"bbox": [
0.1201171875,
0.4482421875,
0.171875,
0.4755859375
],
"text": "N"
},
{
"bbox": [
0.2685546875,
0.3125,
0.2900390625,
... | ||
56 | US10017503B2_3_c1.png | <markush><cxsmi><r>R2a</r>C1=CC=C(C2=C(<r>R3</r>)C(C(=O)NCCS(=O)(=O)N(<r>A</r>)<r>Re</r>)=NO2)C=C1|Sg:n:13:q:ht</cxsmi><stable>R2a:hydrogen<n>fluoro<ns>R3:hydrogen<n>fluoro<ns>A:an optionally substituted 5- or 6-membered heteroaryl<ns>Re:hydrogen<n>optionally substituted C1-C10 alkyl<n>optionally substituted C2-C10 alk... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 25 1 0 0
M V30 BEGIN ATOM
M V30 1 R 4.031347 6.317846 0.000000 0 VAL=1
M V30 2 N 5.244873 5.436168 0.000000 0
M V30 3 R 6.615191 6.046273 0.000000 0 VAL=1
M V30 4 S 5.088080 3.944385 0.000000 0
M V30 5 O 6.579863 3... | *C1=CC=C(C2=C(*)C(C(=O)NCCS(=O)(=O)N(*)*)=NO2)C=C1 |$R2a;;;;;;;R3;;;;;;;;;;;A;Re;;;;$,Sg:n:13:q:ht:::,| | *C1=CC=C(C2=C(*)C(C(=O)NCCS(=O)(=O)N(*)*)=NO2)C=C1 |$R2a;;;;;;;R3;;;;;;;;;;;A;Re;;;;$,Sg:n:13:q:ht:::,| | <r>R2a</r>C1=CC=C(C2=C(<r>R3</r>)C(C(=O)NCCS(=O)(=O)N(<r>A</r>)<r>Re</r>)=NO2)C=C1|Sg:n:13:q:ht | null | [
{
"bbox": [
0.046875,
0.1533203125,
0.0888671875,
0.181640625
],
"text": "R2a"
},
{
"bbox": [
0.3720703125,
0.21875,
0.392578125,
0.2431640625
],
"text": "O"
},
{
"bbox": [
0.4375,
0.2177734375,
0.462890625,
... | ||
57 | US10239846B2_132_c1.png | <markush><cxsmi><r>Y</r>C1=CC(C2=NC(C3=CC=CC4=C3CC[C@@H]4<r>X</r>)=NO2)=CC=C1OC(C)C</cxsmi><stable>X:NHCH2CH2OH<ns>Y:CN</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 26 29 0 0 0
M V30 BEGIN ATOM
M V30 1 C -1.792757 -3.818840 0.000000 0
M V30 2 C -0.579231 -4.700517 0.000000 0
M V30 3 C -0.736024 -6.192300 0.000000 0
M V30 4 O 0.791087 -4.090412 0.000000 0
M V30 5 C 1.965922 -6.836... | *C1=CC(C2=NC(C3=CC=CC4=C3CC[C@@H]4*)=NO2)=CC=C1OC(C)C |$Y;;;;;;;;;;;;;;;;X;;;;;;;;;$,| | *C1=CC(C2=NC(C3=CC=CC4=C3CC[C@@H]4*)=NO2)=CC=C1OC(C)C |$Y;;;;;;;;;;;;;;;;X;;;;;;;;;$,| | <r>Y</r>C1=CC(C2=NC(C3=CC=CC4=C3CC[C@@H]4<r>X</r>)=NO2)=CC=C1OC(C)C | null | [
{
"bbox": [
0.259765625,
0.5234375,
0.28515625,
0.552734375
],
"text": "O"
},
{
"bbox": [
0.419921875,
0.5673828125,
0.4443359375,
0.5966796875
],
"text": "Y"
},
{
"bbox": [
0.494140625,
0.2060546875,
0.5185546875,... | ||
58 | US10597390B2_129_c1.png | <markush><cxsmi><r>R6</r>NC1=C(F)C=<r>X</r>C(C2=C(<r>R5</r>)NC3=C(<r>R1</r>)C(<r>R2</r>)=C(<r>R3</r>)C(<r>R4</r>)=C23)=N1</cxsmi><stable>X:N<n>C<ns>R1:F<n>Cl<ns>R2:H<n>halogen<n>CN<n>CF3<n>O-alkyl<n>NH2<ns>R4:H<n>halogen<n>CN<n>CF3<n>O-alkyl<n>NH2<ns>R3:F<n>Cl<n>CN<n>CF3<n>—C1-3 alkyl<n>—O-alkyl<n>carboxylic ester<n>ca... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 23 25 0 0 0
M V30 BEGIN ATOM
M V30 1 F 0.289744 -0.282826 0.000000 0
M V30 2 C 1.117080 2.932043 0.000000 0
M V30 3 C 0.377662 2.391570 0.000000 0
M V30 4 N 2.325045 2.951978 0.000000 0
M V30 5 R 2.788571 4.378563 0.0... | *NC1=C(F)C=*C(C2=C(*)NC3=C(*)C(*)=C(*)C(*)=C32)=N1 |$R6;;;;;;X;;;;R5;;;;R1;;R2;;R3;;R4;;$,| | *NC1=C(F)C=*C(C2=C(*)NC3=C(*)C(*)=C(*)C(*)=C32)=N1 |$R6;;;;;;X;;;;R5;;;;R1;;R2;;R3;;R4;;$,| | <r>R6</r>NC1=C(F)C=<r>X</r>C(C2=C(<r>R5</r>)NC3=C(<r>R1</r>)C(<r>R2</r>)=C(<r>R3</r>)C(<r>R4</r>)=C23)=N1 | null | [
{
"bbox": [
0.306640625,
0.3046875,
0.328125,
0.3232421875
],
"text": "R2"
},
{
"bbox": [
0.3076171875,
0.212890625,
0.326171875,
0.2314453125
],
"text": "R3"
},
{
"bbox": [
0.3955078125,
0.3525390625,
0.412109375,... | ||
59 | US10946697_12_c.png | <markush><cxsmi><r>R3</r>C1=C(<r>R1</r>)C(OC)=C(<r>R2</r>)C(<r>R4</r>)=C1C|Sg:n:9,11,1,2,4,7,5,8,10,0,3:ht</cxsmi><stable>R1:hydrogen<n>hydroxy<n>alkoxy<n>halogen<n>amino<n>alkylamino<n>dialkylamino groups<n>hydrocarbon-based groups comprising at least 2 carbon atoms<ns>R2:hydrogen<n>hydroxy<n>alkoxy<n>halogen<n>amino<... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 13 1 0 0
M V30 BEGIN ATOM
M V30 1 C 3.750000 1.299038 0.000000 0
M V30 2 O 2.250000 1.299038 0.000000 0
M V30 3 C 0.800000 0.000000 0.000000 0
M V30 4 C 0.350000 -0.606218 0.000000 0
M V30 5 R -0.135376 -0.018635 0... | *C1=C(*)C(OC)=C(*)C(*)=C1C |$R3;;;R1;;;;;R2;;R4;;$,Sg:n:9,11,1,2,4,7,5,8,10,0,3::ht:::,| | *C1=C(*)C(OC)=C(*)C(*)=C1C |$R3;;;R1;;;;;R2;;R4;;$,Sg:n:9,11,1,2,4,7,5,8,10,0,3::ht:::,| | <r>R3</r>C1=C(<r>R1</r>)C(OC)=C(<r>R2</r>)C(<r>R4</r>)=C1C|Sg:n:9,11,1,2,4,7,5,8,10,0,3:ht | null | [
{
"bbox": [
0.4296875,
0.3134765625,
0.4599609375,
0.3427734375
],
"text": "R1"
},
{
"bbox": [
0.55078125,
0.109375,
0.5791015625,
0.1396484375
],
"text": "R2"
},
{
"bbox": [
0.30078125,
0.2470703125,
0.3310546875,... | ||
60 | US10975475_11_c1.png | <markush><cxsmi><r>R1</r>P(<r>R3</r>)<r>R2</r></cxsmi><stable>R1:a phenyl group<n>an alkyl group having 1 to 5 carbons<ns>R2:a phenyl group<n>an alkyl group having 1 to 5 carbons<ns>R3:a phenyl group<n>an alkyl group having 1 to 5 carbons</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 4 3 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 P 1.299038 0.750000 0.000000 0
M V30 3 R 2.598076 -0.000000 0.000000 0 VAL=1
M V30 4 R 1.299038 2.250000 0.000000 0 VAL=1
M V30 END ATOM
... | *P(*)* |$R1;;R3;R2$,| | *P(*)* |$R1;;R3;R2$,| | <r>R1</r>P(<r>R3</r>)<r>R2</r> | null | [
{
"bbox": [
0.083984375,
0.3759765625,
0.1162109375,
0.404296875
],
"text": "R1"
},
{
"bbox": [
0.169921875,
0.3076171875,
0.1982421875,
0.3330078125
],
"text": "R2"
},
{
"bbox": [
0.2392578125,
0.3759765625,
0.269... | ||
61 | US11407846_27_c1.png | <markush><cxsmi><r>R7</r>C(N)COCCOC(<r>R6</r>)COCC(<r>R5</r>)N|Sg:n:7,6,5:q:ht,Sg:n:12,11,10,8,9:p:ht,Sg:n:4,3,1,0:r:ht</cxsmi><stable>R5:a hydrogen atom<n>a methyl group<ns>R6:a hydrogen atom<n>a methyl group<ns>R7:a hydrogen atom<n>a methyl group<ns>p:0-100<ns>q:0-100<ns>r:1-100</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 16 15 3 0 0
M V30 BEGIN ATOM
M V30 1 N 1.299038 2.250000 0.000000 0
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 4 C 2.598076 -0.000000 0.000000 0
M V30 5 O 3.897114 0.7500... | *C(N)COCCOC(*)COCC(*)N |$R7;;;;;;;;;R6;;;;;R5;$,,,,Sg:n:7,6,5:q:ht:::,Sg:n:12,11,10,8,9:p:ht:::,Sg:n:4,3,1,0:r:ht:::,| | *C(N)COCCOC(*)COCC(*)N |$R7;;;;;;;;;R6;;;;;R5;$,,,,Sg:n:7,6,5:q:ht:::,Sg:n:12,11,10,8,9:p:ht:::,Sg:n:4,3,1,0:r:ht:::,| | <r>R7</r>C(N)COCCOC(<r>R6</r>)COCC(<r>R5</r>)N|Sg:n:7,6,5:q:ht,Sg:n:12,11,10,8,9:p:ht,Sg:n:4,3,1,0:r:ht | null | [
{
"bbox": [
0.0595703125,
0.18359375,
0.11328125,
0.2197265625
],
"text": "N"
},
{
"bbox": [
0.275390625,
0.2236328125,
0.2939453125,
0.2490234375
],
"text": "O"
},
{
"bbox": [
0.4658203125,
0.1884765625,
0.4824218... | ||
62 | US20010004639A1_8.png | <markush><cxsmi><r>X</r>1=CC=CC=C1.<r>W</r>C.<r>R3</r>C.<r>R</r>OC(=O)C(*)(<r>R2</r>)<r>R1</r>|m:7:0.1.2.3.4.5,m:9:0.1.2.3.4.5,m:15:0.1.2.3.4.5</cxsmi><stable>R1:as described hereinabove<ns>R2:as described hereinabove<ns>R3:as described hereinabove<ns>X:as described hereinabove<ns>R:hydrogen<n>alkyl<n>aryl<n>heteroaryl... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 15 0 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 3.049038 0.000000 0
M V30 2 R 0.000000 2.299038 0.000000 0 VAL=1
M V30 3 C 3.799038 0.750000 0.000000 0
M V30 4 R 2.500000 0.000000 0.000000 0 VAL=1
M V30 5 A 0.000000 4... | *1=CC=CC=C1.*C.*C.*OC(=O)C(*)(*)* |$X;;;;;;W;;R3;;R;;;;;;R2;R1$,m:7:3.2.1.0.5.4,m:9:3.2.1.0.5.4,m:15:3.2.1.0.5.4| | *1=CC=CC=C1.*C.*C.*OC(=O)C(*)(*)* |$X;;;;;;W;;R3;;R;;;;;;R2;R1$,m:7:3.2.1.0.5.4,m:9:3.2.1.0.5.4,m:15:3.2.1.0.5.4| | <r>X</r>1=CC=CC=C1.<r>W</r>C.<r>R3</r>C.<r>R</r>OC(=O)C(*)(<r>R2</r>)<r>R1</r>|m:7:0.1.2.3.4.5,m:9:0.1.2.3.4.5,m:15:0.1.2.3.4.5 | null | [
{
"bbox": [
0.40625,
0.296875,
0.44140625,
0.322265625
],
"text": "W"
},
{
"bbox": [
0.4775390625,
0.431640625,
0.5009765625,
0.458984375
],
"text": "X"
},
{
"bbox": [
0.6259765625,
0.4130859375,
0.6650390625,
... | ||
63 | US20010004639A1_8_c1.png | <markush><cxsmi><r>X</r>1=CC=CC=C1.<r>R3</r>C.<r>R7</r>C1=C(SC(<r>R9</r>)(<r>R8</r>)C2=NC(<r>R10</r>)C(<r>R11</r>)O2)SC(N(<r>R6</r>)C(=O)C(*)(<r>R2</r>)<r>R1</r>)=N1.<r>R13</r>N(<r>R12</r>)C(*)(<r>R5</r>)<r>R4</r>|m:7:0.1.2.3.4.5,m:37:0.1.2.3.4.5,m:29:0.1.2.3.4.5</cxsmi><stable>R1:hydrogen<n>alkyl<n>heteroaryl<ns>R2:hy... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 40 39 0 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 8.147114 0.000000 0
M V30 2 R 0.000000 7.397114 0.000000 0 VAL=1
M V30 3 A 0.000000 9.696152 0.000000 0
M V30 4 C 1.299038 10.446152 0.000000 0
M V30 5 R 2.598076 11.196... | *1=CC=CC=C1.*C.*C1=C(SC(*)(*)C2=NC(*)C(*)O2)SC(N(*)C(=O)C(*)(*)*)=N1.*N(*)C(*)(*)* |$X;;;;;;R3;;R7;;;;;R9;R8;;;;R10;;R11;;;;;R6;;;;;R2;R1;;R13;;R12;;;R5;R4$,m:7:3.2.1.0.5.4,m:37:3.2.1.0.5.4,m:29:3.2.1.0.5.4| | *1=CC=CC=C1.*C.*C1=C(SC(*)(*)C2=NC(*)C(*)O2)SC(N(*)C(=O)C(*)(*)*)=N1.*N(*)C(*)(*)* |$X;;;;;;R3;;R7;;;;;R9;R8;;;;R10;;R11;;;;;R6;;;;;R2;R1;;R13;;R12;;;R5;R4$,m:7:3.2.1.0.5.4,m:37:3.2.1.0.5.4,m:29:3.2.1.0.5.4| | <r>X</r>1=CC=CC=C1.<r>R3</r>C.<r>R7</r>C1=C(SC(<r>R9</r>)(<r>R8</r>)C2=NC(<r>R10</r>)C(<r>R11</r>)O2)SC(N(<r>R6</r>)C(=O)C(*)(<r>R2</r>)<r>R1</r>)=N1.<r>R13</r>N(<r>R12</r>)C(*)(<r>R5</r>)<r>R4</r>|m:7:0.1.2.3.4.5,m:37:0.1.2.3.4.5,m:29:0.1.2.3.4.5 | null | [
{
"bbox": [
0.1416015625,
0.3232421875,
0.1630859375,
0.34765625
],
"text": "N"
},
{
"bbox": [
0.3115234375,
0.5068359375,
0.3388671875,
0.5322265625
],
"text": "X"
},
{
"bbox": [
0.4658203125,
0.3486328125,
0.4882... | ||
64 | US20170334882A1_304_2_c.png | <markush><cxsmi><r>G1</r>C.<r>G2</r>C.<r>G3</r>C.<r>G4</r>C.<r>R4</r>N(C(=O)C1=CC(S(=O)(=O)NC2CCCC2)=CC=C1)C1=CC=CC=C1|Sg:n:23:w:ht,Sg:n:0:y:ht,m:1:27.28.29.30.31.32,m:3:12.13.14.24.25.26,m:5:19.20.21.22.23,m:7:19.20.21.22.22.23</cxsmi><stable>G1:CH3<n>OCH3<n>halo<n>CF3<n>CCl3<n>CH2Cl<n>CCl2H<n>CF2H<n>CH2F<n>CF3<ns>G2:... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 33 31 2 0 0
M V30 BEGIN ATOM
M V30 1 C 5.299038 0.750000 0.000000 0
M V30 2 R 4.000000 0.000000 0.000000 0 VAL=1
M V30 3 C 7.598076 0.750000 0.000000 0
M V30 4 R 6.299038 0.000000 0.000000 0 VAL=1
M V30 5 C 9.897114 0... | *C.*C.*C.*C.*N(C(=O)C1=CC(S(=O)(=O)NC2CCCC2)=CC=C1)C1=CC=CC=C1 |$G1;;G2;;G3;;G4;;R4;;;;;;;;;;;;;;;;;;;;;;;;$,,,Sg:n:23:w:ht:::,Sg:n:0:y:ht:::,m:1:31.30.32.27.28.29,m:3:12.13.14.26.24.25,m:5:19.20.21.22.23,m:7:19.20.21.22.22.23| | *C.*C.*C.*C.*N(C(=O)C1=CC(S(=O)(=O)NC2CCCC2)=CC=C1)C1=CC=CC=C1 |$G1;;G2;;G3;;G4;;R4;;;;;;;;;;;;;;;;;;;;;;;;$,,,Sg:n:23:w:ht:::,Sg:n:0:y:ht:::,m:1:31.30.32.27.28.29,m:3:12.13.14.26.24.25,m:5:19.20.21.22.23,m:7:19.20.21.22.22.23| | <r>G1</r>C.<r>G2</r>C.<r>G3</r>C.<r>G4</r>C.<r>R4</r>N(C(=O)C1=CC(S(=O)(=O)NC2CCCC2)=CC=C1)C1=CC=CC=C1|Sg:n:23:w:ht,Sg:n:0:y:ht,m:1:27.28.29.30.31.32,m:3:12.13.14.24.25.26,m:5:19.20.21.22.23,m:7:19.20.21.22.22.23 | null | [
{
"bbox": [
0.4462890625,
0.1318359375,
0.4638671875,
0.150390625
],
"text": "N"
},
{
"bbox": [
0.48828125,
0.0634765625,
0.5009765625,
0.0791015625
],
"text": "O"
},
{
"bbox": [
0.5234375,
0.2548828125,
0.53710937... | ||
65 | US20170334882A1_304_c.png | <markush><cxsmi><r>G2</r>C.<r>G4</r>C.<r>G1</r>C1=C(<r>X</r>)C(<r>X</r>)=C([H])C(N(C)C(=O)C2=CC=CC(S(=O)(=O)NC3CCCC3)=C2)=C1.CCO|Sg:n:30:w:ht,Sg:n:34: :ht,m:33:26.27.28.29.30,m:1:17.18.19.20.21.31,m:3:26.27.28.29.30</cxsmi><stable>X:halo<ns>G1:hydrogen<n>halo<ns>G2:H<n>C1-C4 alkyl<n>halo<ns>G4:H<n>halo<n>C1-C4 alkyl<n>... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 36 35 2 0 0
M V30 BEGIN ATOM
M V30 1 H 2.250000 1.299038 0.000000 0
M V30 2 C 0.800000 0.000000 0.000000 0
M V30 3 C 0.350000 -0.606218 0.000000 0
M V30 4 R -1.042046 1.078954 0.000000 0 VAL=1
M V30 5 C -0.400000 -0.6... | *C.*C.*C1=C(*)C(*)=C([H])C(N(C)C(=O)C2=CC=CC(S(=O)(=O)NC3CCCC3)=C2)=C1.CCO |$G2;;G4;;G1;;;X;;X;;;;;;;;;;;;;;;;;;;;;;;;;;$,,,Sg:n:30:w:ht:::,Sg:n:34: :ht:::,m:33:26.27.28.29.30,m:1:17.31.18.21.20.19,m:3:26.27.28.29.30| | *C.*C.*C1=C(*)C(*)=C([H])C(N(C)C(=O)C2=CC=CC(S(=O)(=O)NC3CCCC3)=C2)=C1.CCO |$G2;;G4;;G1;;;X;;X;;;;;;;;;;;;;;;;;;;;;;;;;;$,,,Sg:n:30:w:ht:::,Sg:n:34: :ht:::,m:33:26.27.28.29.30,m:1:17.31.18.21.20.19,m:3:26.27.28.29.30| | <r>G2</r>C.<r>G4</r>C.<r>G1</r>C1=C(<r>X</r>)C(<r>X</r>)=C([H])C(N(C)C(=O)C2=CC=CC(S(=O)(=O)NC3CCCC3)=C2)=C1.CCO|Sg:n:30:w:ht,Sg:n:34: :ht,m:33:26.27.28.29.30,m:1:17.18.19.20.21.31,m:3:26.27.28.29.30 | null | [
{
"bbox": [
0.2578125,
0.1220703125,
0.279296875,
0.14453125
],
"text": "X"
},
{
"bbox": [
0.2578125,
0.2666015625,
0.27734375,
0.2890625
],
"text": "X"
},
{
"bbox": [
0.3818359375,
0.0439453125,
0.41015625,
... | ||
66 | US20200050122A1_18_c1.png | <markush><cxsmi><r>R1</r>C1=C(<r>R3</r>)C(<r>R5</r>)=C(/C=C/C2=C(<r>R10</r>)C(<r>R8</r>)=C(<r>R2</r>)C(<r>R7</r>)=C2<r>R9</r>)C(<r>R6</r>)=C1<r>R4</r></cxsmi><stable>R1:an electron donating group<ns>R2:an electron withdrawing group<ns>R3:a hydrogen atom<n>an alkyl group<ns>R4:a hydrogen atom<n>an alkyl group<ns>R5:a hy... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 25 0 0 0
M V30 BEGIN ATOM
M V30 1 R 2.250000 1.299038 0.000000 0 VAL=1
M V30 2 C 0.800000 0.000000 0.000000 0
M V30 3 C 0.350000 -0.606218 0.000000 0
M V30 4 R -1.042046 1.078954 0.000000 0 VAL=1
M V30 5 C -0.40000... | *C1=C(*)C(*)=C(/C=C/C2=C(*)C(*)=C(*)C(*)=C2*)C(*)=C1* |$R1;;;R3;;R5;;;;;;R10;;R8;;R2;;R7;;R9;;R6;;R4$,| | *C1=C(*)C(*)=C(/C=C/C2=C(*)C(*)=C(*)C(*)=C2*)C(*)=C1* |$R1;;;R3;;R5;;;;;;R10;;R8;;R2;;R7;;R9;;R6;;R4$,| | <r>R1</r>C1=C(<r>R3</r>)C(<r>R5</r>)=C(/C=C/C2=C(<r>R10</r>)C(<r>R8</r>)=C(<r>R2</r>)C(<r>R7</r>)=C2<r>R9</r>)C(<r>R6</r>)=C1<r>R4</r> | null | [
{
"bbox": [
0.0849609375,
0.34765625,
0.111328125,
0.3759765625
],
"text": "R1"
},
{
"bbox": [
0.697265625,
0.28515625,
0.7255859375,
0.3134765625
],
"text": "R2"
},
{
"bbox": [
0.1630859375,
0.2255859375,
0.193359... | ||
67 | US20200352840A1_29_c1.png | <markush><cxsmi><r>R1</r>NC(CNC(=N)N)C(<r>R2</r>)=O|Sg:n:3:n:ht</cxsmi><stable>R1:a hydrogen atom<n>a hydroxyl group<n>an acyl radical<n>an acyloxy radical<n>an amino acid<ns>R2:a hydroxyl group<n>an amine<n>alkylamine<n>alcoxy radical<n>a silyloxy group<n>an amino acid<ns>n:3-4</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 11 10 1 0 0
M V30 BEGIN ATOM
M V30 1 N 7.794229 -0.000000 0.000000 0
M V30 2 C 6.495191 0.750000 0.000000 0
M V30 3 N 6.495191 2.250000 0.000000 0
M V30 4 N 5.196152 -0.000000 0.000000 0
M V30 5 C 3.897114 0.750000 0.... | *NC(CNC(=N)N)C(*)=O |$R1;;;;;;;;;R2;$,Sg:n:3:n:ht:::,| | *NC(CNC(=N)N)C(*)=O |$R1;;;;;;;;;R2;$,Sg:n:3:n:ht:::,| | <r>R1</r>NC(CNC(=N)N)C(<r>R2</r>)=O|Sg:n:3:n:ht | null | [
{
"bbox": [
0.1220703125,
0.23046875,
0.171875,
0.2568359375
],
"text": "N"
},
{
"bbox": [
0.2109375,
0.3310546875,
0.2509765625,
0.3525390625
],
"text": "N"
},
{
"bbox": [
0.271484375,
0.2080078125,
0.2890625,
... | ||
68 | US20210102027A1_13_c1.png | <markush><cxsmi><r>R2</r>/N=C(/<r>R1</r>)N(<r>R4</r>)<r>R3</r></cxsmi><stable>R1:hydrogen<n>branched or unbranched alkyl<n>acyl<n>aryl<ns>R2:hydrogen<n>branched or unbranched alkyl<n>acyl<n>aryl<ns>R3:hydrogen<n>branched or unbranched alkyl<n>acyl<n>aryl<ns>R4:hydrogen<n>branched or unbranched alkyl<n>acyl<n>aryl</stab... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 6 0 0 0
M V30 BEGIN ATOM
M V30 1 R -0.750000 -1.299038 0.000000 0 VAL=1
M V30 2 N 0.000000 0.000000 0.000000 0
M V30 3 C 1.500000 0.000000 0.000000 0
M V30 4 R 2.250000 1.299038 0.000000 0 VAL=1
M V30 5 N 2.250000 -... | */N=C(/*)N(*)* |$R2;;;R1;;R4;R3$,| | */N=C(/*)N(*)* |$R2;;;R1;;R4;R3$,| | <r>R2</r>/N=C(/<r>R1</r>)N(<r>R4</r>)<r>R3</r> | null | [
{
"bbox": [
0.357421875,
0.271484375,
0.3896484375,
0.29296875
],
"text": "R4"
},
{
"bbox": [
0.4365234375,
0.306640625,
0.455078125,
0.3271484375
],
"text": "N"
},
{
"bbox": [
0.49609375,
0.2705078125,
0.528320312... | ||
69 | US20210283300A9_9_c.png | <markush><cxsmi>C=C(C)C(=O)OC(=O)CC(=O)OC(=O)C(=C)C|Sg:n:8:n:ht</cxsmi><stable>n:0-5</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 17 16 1 0 0
M V30 BEGIN ATOM
M V30 1 C 0.000000 0.000000 0.000000 0
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 C 2.598076 -0.000000 0.000000 0
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 O 2.598076 3.000000 0.0... | C=C(C)C(=O)OC(=O)CC(=O)OC(=O)C(=C)C |Sg:n:8:n:ht:::,| | C=C(C)C(=O)OC(=O)CC(=O)OC(=O)C(=C)C |Sg:n:8:n:ht:::,| | C=C(C)C(=O)OC(=O)CC(=O)OC(=O)C(=C)C|Sg:n:8:n:ht | null | [
{
"bbox": [
0.365234375,
0.3232421875,
0.3876953125,
0.349609375
],
"text": "O"
},
{
"bbox": [
0.4384765625,
0.447265625,
0.4599609375,
0.4736328125
],
"text": "O"
},
{
"bbox": [
0.509765625,
0.32421875,
0.53125,
... | ||
70 | US20220115602A1_51_c.png | <markush><cxsmi><r>R4</r>C1=C(<r>R5</r>)[N+](<r>R2</r>)=C(<r>R3</r>)N1<r>R1</r></cxsmi><stable>R1:hydrogen<n>unsubstituted or substituted C1-10 alkyl<n>unsubstituted or substituted C2-10 alkenyl<n>unsubstituted or substituted C2-10 alkynyl<n>unsubstituted or substituted C6-12 aryl<n>unsubstituted or substituted C3-10 c... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 10 0 0 0
M V30 BEGIN ATOM
M V30 1 R 1.612891 0.722465 0.000000 0 VAL=1
M V30 2 N 1.275976 0.000000 0.000000 0
M V30 3 C -0.150609 -0.463525 0.000000 0
M V30 4 R -0.614134 -1.890110 0.000000 0 VAL=1
M V30 5 C -1.032... | *C1=C(*)[N+](*)=C(*)N1* |$R4;;;R5;;R2;;R3;;R1$,| | *C1=C(*)[N+](*)=C(*)N1* |$R4;;;R5;;R2;;R3;;R1$,| | <r>R4</r>C1=C(<r>R5</r>)[N+](<r>R2</r>)=C(<r>R3</r>)N1<r>R1</r> | null | [
{
"bbox": [
0.083984375,
0.26953125,
0.1162109375,
0.296875
],
"text": "R5"
},
{
"bbox": [
0.16796875,
0.12890625,
0.1982421875,
0.154296875
],
"text": "R4"
},
{
"bbox": [
0.322265625,
0.154296875,
0.349609375,
... | ||
71 | US20220183287A1_13_c1.png | <markush><cxsmi><r>R1</r>OC(=O)C1=C(<r>R2</r>)C(<r>R2</r>)=C(<r>R2</r>)C(<r>R2</r>)=C1<r>R2</r></cxsmi><stable>R1:CH3<n>C2H5<n>C3H7<n>saturated or unsaturated, straight or branched, or halogen substituted alkyl<ns>R2:H<n>halogen<n>nitrogen<n>oxygen<n>sulfur<n>saturated or unsaturated, straight or branched alkyl<n>alken... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 15 15 0 0 0
M V30 BEGIN ATOM
M V30 1 R 2.250000 3.897114 0.000000 0 VAL=1
M V30 2 O 1.500000 2.598076 0.000000 0
M V30 3 C 2.250000 1.299038 0.000000 0
M V30 4 O 3.750000 1.299038 0.000000 0
M V30 5 C 0.800000 0.00000... | *OC(=O)C1=C(*)C(*)=C(*)C(*)=C1* |$R1;;;;;;R2;;R2;;R2;;R2;;R2$,| | *OC(=O)C1=C(*)C(*)=C(*)C(*)=C1* |$R1;;;;;;R2;;R2;;R2;;R2;;R2$,| | <r>R1</r>OC(=O)C1=C(<r>R2</r>)C(<r>R2</r>)=C(<r>R2</r>)C(<r>R2</r>)=C1<r>R2</r> | null | [
{
"bbox": [
0.5966796875,
0.23046875,
0.630859375,
0.2548828125
],
"text": "R1"
},
{
"bbox": [
0.1552734375,
0.23046875,
0.1923828125,
0.2548828125
],
"text": "R2"
},
{
"bbox": [
0.154296875,
0.390625,
0.1923828125... | ||
72 | US20220227955A1_18_c1.png | <markush><cxsmi><r>R2</r>/N=C(\N<r>R1</r>)NN</cxsmi><stable>R1:a hydrogen atom<n>an amino group<ns>R2:a hydrogen atom<n>an amino group</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 6 0 0 0
M V30 BEGIN ATOM
M V30 1 N -2.250000 -1.299038 0.000000 0
M V30 2 N -0.750000 -1.299038 0.000000 0
M V30 3 C 0.000000 0.000000 0.000000 0
M V30 4 N -0.750000 1.299038 0.000000 0
M V30 5 R -2.250000 1.299038 ... | */N=C(\N*)NN |$R2;;;;R1;;$,| | */N=C(\N*)NN |$R2;;;;R1;;$,| | <r>R2</r>/N=C(\N<r>R1</r>)NN | null | [
{
"bbox": [
0.3095703125,
0.431640625,
0.36328125,
0.4609375
],
"text": "N"
},
{
"bbox": [
0.404296875,
0.4697265625,
0.42578125,
0.5146484375
],
"text": "N"
},
{
"bbox": [
0.5263671875,
0.4677734375,
0.546875,
... | ||
73 | US20220271335A1_26_c.png | <markush><cxsmi><r>R10</r>P(<r>R11</r>)(<r>R12</r>)=O</cxsmi><stable>R10:alkyl<n>aryl<n>heteroalkyl<n>heteroaryl<n>halogen substituted alkyl<n>halogen substituted aryl<n>halogen substituted heteroalkyl<n>halogen substituted heteroaryl<n>alkoxy<n>aryloxy<n>heteroalkoxy<n>heteroaryloxy<n>halogen substituted alkoxy<n>halo... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 5 4 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 P 1.299038 0.750000 0.000000 0
M V30 3 R 2.598076 1.500000 0.000000 0 VAL=1
M V30 4 R 2.049038 -0.549038 0.000000 0 VAL=1
M V30 5 O 0.549... | *P(*)(*)=O |$R10;;R11;R12;$,| | *P(*)(*)=O |$R10;;R11;R12;$,| | <r>R10</r>P(<r>R11</r>)(<r>R12</r>)=O | null | [
{
"bbox": [
0.3798828125,
0.224609375,
0.419921875,
0.251953125
],
"text": "R10"
},
{
"bbox": [
0.4599609375,
0.1533203125,
0.4990234375,
0.1796875
],
"text": "R11"
},
{
"bbox": [
0.529296875,
0.2216796875,
0.57128... | ||
74 | US20220271335A1_26_c_2.png | <markush><cxsmi><r>X</r>N=P(<r>R1</r>)(<r>R2</r>)<r>R3</r></cxsmi><stable>R1:alkyl<n>aryl<n>heteroalkyl<n>heteroaryl<n>halogen substituted alkyl<n>halogen substituted aryl<n>halogen substituted heteroalkyl<n>halogen substituted heteroaryl<n>alkoxy<n>aryloxy<n>heteroalkoxy<n>heteroaryloxy<n>halogen substituted alkoxy<n>... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 N 1.299038 0.750000 0.000000 0
M V30 3 P 2.598076 -0.000000 0.000000 0
M V30 4 R 3.348076 1.299038 0.000000 0 VAL=1
M V30 5 R 1.848076 -1... | *N=P(*)(*)* |$X;;;R1;R2;R3$,| | *N=P(*)(*)* |$X;;;R1;R2;R3$,| | <r>X</r>N=P(<r>R1</r>)(<r>R2</r>)<r>R3</r> | null | [
{
"bbox": [
0.3505859375,
0.193359375,
0.373046875,
0.21484375
],
"text": "X"
},
{
"bbox": [
0.4228515625,
0.1923828125,
0.4423828125,
0.2119140625
],
"text": "N"
},
{
"bbox": [
0.4912109375,
0.1171875,
0.51953125,... | ||
75 | US20220288063A1_24_c.png | <markush><cxsmi><r>R</r>NC1=NC(C2=CC(C(=O)N3CCN(CC4=CC=C(Cl)C=C4)CC3)=C(Cl)C=N2)=CS1</cxsmi><stable>R:CD3<n>Me</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 30 33 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 2.988814 0.182844 0.000000 0
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 C 0.750000 -1.299038 0.000000 0
M V30 4 C -0.750000 -1.299038 0.000000 0
M V30 5 C -0.000000 -0.00000... | *NC1=NC(C2=CC(C(=O)N3CCN(CC4=CC=C(Cl)C=C4)CC3)=C(Cl)C=N2)=CS1 |$R;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,| | *NC1=NC(C2=CC(C(=O)N3CCN(CC4=CC=C(Cl)C=C4)CC3)=C(Cl)C=N2)=CS1 |$R;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,| | <r>R</r>NC1=NC(C2=CC(C(=O)N3CCN(CC4=CC=C(Cl)C=C4)CC3)=C(Cl)C=N2)=CS1 | null | [
{
"bbox": [
0.2587890625,
0.169921875,
0.279296875,
0.1923828125
],
"text": "R"
},
{
"bbox": [
0.271484375,
0.232421875,
0.3154296875,
0.2568359375
],
"text": "N"
},
{
"bbox": [
0.412109375,
0.2939453125,
0.4335937... | ||
76 | US20220332736A1_5_c.png | <markush><cxsmi><r>R4</r>C1=CC(<r>R3</r>)=C(OP2OC3=C(<r>R1</r>)C=C(<r>R2</r>)C=C3C3=C(O2)C(<r>R1</r>)=CC(<r>R2</r>)=C3)C(C2=C(OP(OC3=CC=CC(C)=C3)OC3=CC(C)=CC=C3)C(<r>R3</r>)=CC(<r>R4</r>)=C2)=C1</cxsmi><stable>R1:—H<n>—(C1-C12)-alkyl<n>—O—(C1-C12)-alkyl<ns>R2:—H<n>—(C1-C12)-alkyl<n>—O—(C1-C12)-alkyl<ns>R3:—H<n>—(C1-C12... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 54 60 0 0 0
M V30 BEGIN ATOM
M V30 1 C -12.678826 -9.266065 0.000000 0
M V30 2 C -11.379788 -10.016065 0.000000 0
M V30 3 C -10.080749 -9.266065 0.000000 0
M V30 4 C -8.781711 -10.016065 0.000000 0
M V30 5 O -7.482673... | *C1=CC(*)=C(OP2OC3=C(*)C=C(*)C=C3C3=C(O2)C(*)=CC(*)=C3)C(C2=C(OP(OC3=CC=CC(C)=C3)OC3=CC(C)=CC=C3)C(*)=CC(*)=C2)=C1 |$R4;;;;R3;;;;;;;R1;;;R2;;;;;;;R1;;;R2;;;;;;;;;;;;;;;;;;;;;;;;R3;;;R4;;$,| | *C1=CC(*)=C(OP2OC3=C(*)C=C(*)C=C3C3=C(O2)C(*)=CC(*)=C3)C(C2=C(OP(OC3=CC=CC(C)=C3)OC3=CC(C)=CC=C3)C(*)=CC(*)=C2)=C1 |$R4;;;;R3;;;;;;;R1;;;R2;;;;;;;R1;;;R2;;;;;;;;;;;;;;;;;;;;;;;;R3;;;R4;;$,| | <r>R4</r>C1=CC(<r>R3</r>)=C(OP2OC3=C(<r>R1</r>)C=C(<r>R2</r>)C=C3C3=C(O2)C(<r>R1</r>)=CC(<r>R2</r>)=C3)C(C2=C(OP(OC3=CC=CC(C)=C3)OC3=CC(C)=CC=C3)C(<r>R3</r>)=CC(<r>R4</r>)=C2)=C1 | null | [
{
"bbox": [
0.0439453125,
0.3818359375,
0.0693359375,
0.41015625
],
"text": "R1"
},
{
"bbox": [
0.048828125,
0.6220703125,
0.0771484375,
0.6533203125
],
"text": "R2"
},
{
"bbox": [
0.2138671875,
0.72265625,
0.24316... | ||
77 | US20230174533A1_64_c.png | <markush><cxsmi><r>Cy</r><r>Ar</r>N(<r>R5</r>)C(=O)C(<r>R3</r>)(<r>R4</r>)N1C(<r>D</r>)=NC2=C1C(=O)N(<r>R1</r>)C(=O)N2<r>R2</r></cxsmi><stable>R1:H<n>an alkyl group<ns>R2:H<n>an alkyl group<ns>R3:H<n>an alkyl group<ns>R4:H<n>an alkyl group<ns>R5:H<n>an alkyl group<ns>D:H<n>halogen<n>alkyl<n>cycloalkyl<n>aryl<n>dialkyla... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 23 24 0 0 0
M V30 BEGIN ATOM
M V30 1 R 5.025976 3.897114 0.000000 0 VAL=1
M V30 2 R 4.275976 2.598076 0.000000 0 VAL=2
M V30 3 N 5.025976 1.299038 0.000000 0
M V30 4 R 6.525976 1.299038 0.000000 0 VAL=1
M V30 5 C 4.27... | **N(*)C(=O)C(*)(*)N1C(*)=NC2=C1C(=O)N(*)C(=O)N2* |$Cy;Ar;;R5;;;;R3;R4;;;D;;;;;;;R1;;;;R2$,| | **N(*)C(=O)C(*)(*)N1C(*)=NC2=C1C(=O)N(*)C(=O)N2* |$Cy;Ar;;R5;;;;R3;R4;;;D;;;;;;;R1;;;;R2$,| | <r>Cy</r><r>Ar</r>N(<r>R5</r>)C(=O)C(<r>R3</r>)(<r>R4</r>)N1C(<r>D</r>)=NC2=C1C(=O)N(<r>R1</r>)C(=O)N2<r>R2</r> | null | [
{
"bbox": [
0.2177734375,
0.1376953125,
0.236328125,
0.1591796875
],
"text": "O"
},
{
"bbox": [
0.3232421875,
0.109375,
0.3447265625,
0.1318359375
],
"text": "N"
},
{
"bbox": [
0.296875,
0.2138671875,
0.31640625,
... | ||
78 | US7776936B2_16_c.png | <markush><cxsmi><r>R4</r>C(=C)C(=O)O<r>R5</r>OC(=O)CC1CCSS1|Sg:n:10:n:ht</cxsmi><stable>R4:a hydrogen atom<n>a hydrocarbon group having 1 to 3 carbon atoms<ns>R5:an optionally substituted alkylene group having 1 to 30 carbon atoms<ns>n:0-15</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 16 16 1 0 0
M V30 BEGIN ATOM
M V30 1 R 3.525976 -9.093267 0.000000 0 VAL=1
M V30 2 C 2.775976 -7.794229 0.000000 0
M V30 3 C 1.275976 -7.794229 0.000000 0
M V30 4 C 3.525976 -6.495191 0.000000 0
M V30 5 O 5.025976 -6.... | *C(=C)C(=O)O*OC(=O)CC1CCSS1 |$R4;;;;;;R5;;;;;;;;;$,Sg:n:10:n:ht:::,| | *C(=C)C(=O)O*OC(=O)CC1CCSS1 |$R4;;;;;;R5;;;;;;;;;$,Sg:n:10:n:ht:::,| | <r>R4</r>C(=C)C(=O)O<r>R5</r>OC(=O)CC1CCSS1|Sg:n:10:n:ht | null | [
{
"bbox": [
0.21875,
0.2998046875,
0.25,
0.326171875
],
"text": "R4"
},
{
"bbox": [
0.2890625,
0.44140625,
0.3056640625,
0.4619140625
],
"text": "O"
},
{
"bbox": [
0.35546875,
0.3740234375,
0.3740234375,
0.39... | ||
79 | US7776936B2_16_c1.png | <markush><cxsmi><r>R1</r>C(=C)C(=O)O<r>R2</r>OC(=O)<r>R3</r>P(=O)(O)O</cxsmi><stable>R1:a hydrogen atom<n>a methyl group<ns>R2:an optionally substituted alkylene group having 1 to 20 carbon atoms<ns>R3:an optionally substituted alkylene group having 1 to 15 carbon atoms</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 15 14 0 0 0
M V30 BEGIN ATOM
M V30 1 O -2.598076 10.500000 0.000000 0
M V30 2 P -2.598076 9.000000 0.000000 0
M V30 3 O -4.098076 9.000000 0.000000 0
M V30 4 O -1.098076 9.000000 0.000000 0
M V30 5 R -2.598076 7.50000... | *C(=C)C(=O)O*OC(=O)*P(=O)(O)O |$R1;;;;;;R2;;;;R3;;;;$,| | *C(=C)C(=O)O*OC(=O)*P(=O)(O)O |$R1;;;;;;R2;;;;R3;;;;$,| | <r>R1</r>C(=C)C(=O)O<r>R2</r>OC(=O)<r>R3</r>P(=O)(O)O | null | [
{
"bbox": [
0.2197265625,
0.2802734375,
0.2470703125,
0.306640625
],
"text": "R1"
},
{
"bbox": [
0.2890625,
0.421875,
0.306640625,
0.44140625
],
"text": "O"
},
{
"bbox": [
0.35546875,
0.353515625,
0.3740234375,
... | ||
80 | US9056043B2_12.png | <markush><cxsmi><r>OG</r>C(<r>Q</r>)COCCCCOC|Sg:n:9,8,7,6,5:n:ht,Sg:n:4,3,1,2:m:ht</cxsmi><stable>m:1-3<ns>n:1-3<ns>Q:hydrogen<n>methyl<n>phenyl<n>phenoxymethyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 11 10 2 0 0
M V30 BEGIN ATOM
M V30 1 C 6.495191 9.750000 0.000000 0
M V30 2 O 5.196152 9.000000 0.000000 0
M V30 3 C 5.196152 7.500000 0.000000 0
M V30 4 C 3.897114 6.750000 0.000000 0
M V30 5 C 3.897114 5.250000 0.00... | *C(*)COCCCCOC |$OG;;Q;;;;;;;;$,,,Sg:n:9,8,7,6,5:n:ht:::,Sg:n:4,3,1,2:m:ht:::,| | *C(*)COCCCCOC |$OG;;Q;;;;;;;;$,,,Sg:n:9,8,7,6,5:n:ht:::,Sg:n:4,3,1,2:m:ht:::,| | <r>OG</r>C(<r>Q</r>)COCCCCOC|Sg:n:9,8,7,6,5:n:ht,Sg:n:4,3,1,2:m:ht | null | [
{
"bbox": [
0.259765625,
0.3662109375,
0.27734375,
0.38671875
],
"text": "O"
},
{
"bbox": [
0.5791015625,
0.41796875,
0.59765625,
0.439453125
],
"text": "O"
},
{
"bbox": [
0.6962890625,
0.484375,
0.71484375,
... | ||
81 | US9056043B2_35.png | <markush><cxsmi><r>R4</r>C.<r>R4</r>C(=C)C1=CC=CC=C1.CC|m:11:5.6.7.8.9.10,m:1:5.6.7.8.9.10</cxsmi><stable>R4:H<n>C1-C4 alkyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 11 0 0 0
M V30 BEGIN ATOM
M V30 1 C 0.000000 4.049038 0.000000 0
M V30 2 C 1.299038 4.799038 0.000000 0
M V30 3 C 1.299038 3.049038 0.000000 0
M V30 4 R 0.000000 2.299038 0.000000 0 VAL=1
M V30 5 R 3.750000 -1.2990... | *C.*C(=C)C1=CC=CC=C1.CC |$R4;;R4;;;;;;;;;;$,m:11:9.10.7.6.5.8,m:1:9.10.7.6.5.8| | *C.*C(=C)C1=CC=CC=C1.CC |$R4;;R4;;;;;;;;;;$,m:11:9.10.7.6.5.8,m:1:9.10.7.6.5.8| | <r>R4</r>C.<r>R4</r>C(=C)C1=CC=CC=C1.CC|m:11:5.6.7.8.9.10,m:1:5.6.7.8.9.10 | null | [
{
"bbox": [
0.6279296875,
0.4765625,
0.685546875,
0.5283203125
],
"text": "R4"
},
{
"bbox": [
0.71875,
0.2490234375,
0.779296875,
0.2998046875
],
"text": "R4"
},
{
"bbox": [
0.0439453125,
0.6708984375,
0.9560546875... | ||
82 | US9066852B2_2.png | <markush><cxsmi><r>R1</r>C(=C)C(=O)O<r>R2</r>OC(=O)<r>R3</r>P(=O)(O)O</cxsmi><stable>R1:a hydrogen atom<n>a methyl group<ns>R2:an alkylene group having 5 to 10 carbon atoms<ns>R3:an alkylene group having 1 to 6 carbon atoms</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 15 14 0 0 0
M V30 BEGIN ATOM
M V30 1 O -2.598076 10.500000 0.000000 0
M V30 2 P -2.598076 9.000000 0.000000 0
M V30 3 O -4.098076 9.000000 0.000000 0
M V30 4 O -1.098076 9.000000 0.000000 0
M V30 5 R -2.598076 7.50000... | *C(=C)C(=O)O*OC(=O)*P(=O)(O)O |$R1;;;;;;R2;;;;R3;;;;$,| | *C(=C)C(=O)O*OC(=O)*P(=O)(O)O |$R1;;;;;;R2;;;;R3;;;;$,| | <r>R1</r>C(=C)C(=O)O<r>R2</r>OC(=O)<r>R3</r>P(=O)(O)O | null | [
{
"bbox": [
0.2421875,
0.3193359375,
0.26953125,
0.3447265625
],
"text": "R1"
},
{
"bbox": [
0.310546875,
0.4599609375,
0.330078125,
0.4794921875
],
"text": "O"
},
{
"bbox": [
0.3798828125,
0.390625,
0.3984375,
... | ||
83 | US9156839B2_4.png | <markush><cxsmi><r>R3</r>C.<r>R3</r>C.<r>R1</r>N(<r>R2</r>)S(=O)(=O)C1=CC2=C(C=C1)NN=C2NC1=CC=CC=C1|m:1:20,m:3:20.21.22.23.24.25</cxsmi><stable>R1:as above<ns>R2:as above<ns>R3:as above</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 26 26 0 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 3.250000 0.000000 0
M V30 2 R 0.000000 2.500000 0.000000 0 VAL=1
M V30 3 C 1.299038 5.000000 0.000000 0
M V30 4 R 0.000000 4.250000 0.000000 0 VAL=1
M V30 5 R 5.250000 1... | *C.*C.*N(*)S(=O)(=O)C1=CC2=C(C=C1)NN=C2NC1=CC=CC=C1 |$R3;;R3;;R1;;R2;;;;;;;;;;;;;;;;;;;$,m:1:20,m:3:20.21.22.23.24.25| | *C.*C.*N(*)S(=O)(=O)C1=CC2=C(C=C1)NN=C2NC1=CC=CC=C1 |$R3;;R3;;R1;;R2;;;;;;;;;;;;;;;;;;;$,m:1:20,m:3:20.21.22.23.24.25| | <r>R3</r>C.<r>R3</r>C.<r>R1</r>N(<r>R2</r>)S(=O)(=O)C1=CC2=C(C=C1)NN=C2NC1=CC=CC=C1|m:1:20,m:3:20.21.22.23.24.25 | null | [
{
"bbox": [
0.2421875,
0.6396484375,
0.27734375,
0.671875
],
"text": "R3"
},
{
"bbox": [
0.2490234375,
0.41015625,
0.2861328125,
0.4443359375
],
"text": "R3"
},
{
"bbox": [
0.466796875,
0.4384765625,
0.5205078125,
... | ||
84 | US9237990B2_27_c.png | <markush><cxsmi><r>R2</r>C(=C)C(=O)O<r>Z</r><r>R1</r>N1C(=O)N(<r>R4</r>)C(=O)N(<r>R3</r>)C1=O</cxsmi><stable>R1:alkylene<n>arylene<n>alkarylene<ns>R2:hydrogen<n>methyl<ns>Z:an alkylene linking group<n>an arylene linking group<n>an alkarylene linking group<ns>R3:hydrogen<n>alkyl<n>aryl<n>alkaryl<ns>R4:hydrogen<n>alkyl<n... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 19 19 0 0 0
M V30 BEGIN ATOM
M V30 1 R 3.000000 0.000000 0.000000 0 VAL=1
M V30 2 N 1.500000 0.000000 0.000000 0
M V30 3 C 0.750000 -1.299038 0.000000 0
M V30 4 O 1.500000 -2.598076 0.000000 0
M V30 5 N -0.750000 -1.2... | *C(=C)C(=O)O**N1C(=O)N(*)C(=O)N(*)C1=O |$R2;;;;;;Z;R1;;;;;R4;;;;R3;;$,| | *C(=C)C(=O)O**N1C(=O)N(*)C(=O)N(*)C1=O |$R2;;;;;;Z;R1;;;;;R4;;;;R3;;$,| | <r>R2</r>C(=C)C(=O)O<r>Z</r><r>R1</r>N1C(=O)N(<r>R4</r>)C(=O)N(<r>R3</r>)C1=O | null | [
{
"bbox": [
0.0859375,
0.23046875,
0.10546875,
0.25
],
"text": "O"
},
{
"bbox": [
0.15625,
0.109375,
0.1875,
0.1357421875
],
"text": "R4"
},
{
"bbox": [
0.1904296875,
0.1689453125,
0.2119140625,
0.1923828125
... | ||
85 | US9237990B2_28_c.png | <markush><cxsmi><r>R2</r>C(=C)C(=O)O<r>Z</r><r>R1</r>N1C(=O)N(<r>R5</r><r>X</r>OC(=O)C(<r>R2</r>)=C)C(=O)N(<r>R6</r><r>Y</r>OC(=O)C(<r>R2</r>)=C)C1=O</cxsmi><stable>R1:alkylene<n>arylene<n>alkarylene<ns>R5:alkylene<n>arylene<n>alkarylene<ns>R6:alkylene<n>arylene<n>alkarylene<ns>R2:hydrogen<n>methyl<ns>X:an alkylene lin... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 33 33 0 0 0
M V30 BEGIN ATOM
M V30 1 R 8.250000 -3.897114 0.000000 0 VAL=1
M V30 2 C 7.500000 -2.598076 0.000000 0
M V30 3 C 8.250000 -1.299038 0.000000 0
M V30 4 C 6.000000 -2.598076 0.000000 0
M V30 5 O 5.250000 -3.... | *C(=C)C(=O)O**N1C(=O)N(**OC(=O)C(*)=C)C(=O)N(**OC(=O)C(*)=C)C1=O |$R2;;;;;;Z;R1;;;;;R5;X;;;;;R2;;;;;R6;Y;;;;;R2;;;$,| | *C(=C)C(=O)O**N1C(=O)N(**OC(=O)C(*)=C)C(=O)N(**OC(=O)C(*)=C)C1=O |$R2;;;;;;Z;R1;;;;;R5;X;;;;;R2;;;;;R6;Y;;;;;R2;;;$,| | <r>R2</r>C(=C)C(=O)O<r>Z</r><r>R1</r>N1C(=O)N(<r>R5</r><r>X</r>OC(=O)C(<r>R2</r>)=C)C(=O)N(<r>R6</r><r>Y</r>OC(=O)C(<r>R2</r>)=C)C1=O | null | [
{
"bbox": [
0.22265625,
0.0439453125,
0.2490234375,
0.0673828125
],
"text": "R2"
},
{
"bbox": [
0.19140625,
0.201171875,
0.208984375,
0.2197265625
],
"text": "O"
},
{
"bbox": [
0.283203125,
0.1494140625,
0.29980468... | ||
86 | US9339510B2_229_c.png | <markush><cxsmi><r>R2</r>C.<r>R1</r>C.<r>Cy</r>S(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2)=CC=C1|Sg:n:2:x:ht,m:1:8.9.10.20.21.22,m:3:14.15.16.17.18.19</cxsmi><stable>R1:halo<n>OH<n>—C1-C6 alkyl<n>—O—C1-C6 alkyl<ns>R2:halo<n>OH<n>—C1-C6 alkyl<n>—O—C1-C6 alkyl<ns>x:2-3</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 23 22 1 0 0
M V30 BEGIN ATOM
M V30 1 C 1.299038 3.250000 0.000000 0
M V30 2 R 0.000000 2.500000 0.000000 0 VAL=1
M V30 3 C 1.299038 5.000000 0.000000 0
M V30 4 R 0.000000 4.250000 0.000000 0 VAL=1
M V30 5 R 4.500000 0... | *C.*C.*S(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2)=CC=C1 |$R2;;R1;;Cy;;;;;;;;;;;;;;;;;;$,Sg:n:2:x:ht:::,m:1:9.10.8.22.20.21,m:3:18.19.17.14.15.16| | *C.*C.*S(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2)=CC=C1 |$R2;;R1;;Cy;;;;;;;;;;;;;;;;;;$,Sg:n:2:x:ht:::,m:1:9.10.8.22.20.21,m:3:18.19.17.14.15.16| | <r>R2</r>C.<r>R1</r>C.<r>Cy</r>S(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2)=CC=C1|Sg:n:2:x:ht,m:1:8.9.10.20.21.22,m:3:14.15.16.17.18.19 | null | [
{
"bbox": [
0.23828125,
0.044921875,
0.2685546875,
0.0703125
],
"text": "R1"
},
{
"bbox": [
0.279296875,
0.064453125,
0.28515625,
0.076171875
],
"text": "x"
},
{
"bbox": [
0.3994140625,
0.1962890625,
0.4169921875,
... | ||
87 | US9682968B2_123.png | <markush><cxsmi><r>R5</r>C1=CC=C(C2CC(<r>R6</r>)(C)CCN2CC2=C(<r>R1</r>)C=C(<r>R2</r>)C3=C2C(<r>R3</r>)=CN3)C=<r>X</r>1</cxsmi><stable>X:N<n>CH</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 28 31 0 0 0
M V30 BEGIN ATOM
M V30 1 C -5.064468 5.730130 0.000000 0
M V30 2 C -5.169103 4.233784 0.000000 0
M V30 3 R -6.624547 4.596667 0.000000 0 VAL=1
M V30 4 C -3.677320 4.390576 0.000000 0
M V30 5 C -2.795642 3.... | *C1=CC=C(C2CC(*)(C)CCN2CC2=C(*)C=C(*)C3=C2C(*)=CN3)C=*1 |$R5;;;;;;;;R6;;;;;;;;R1;;;R2;;;;R3;;;;X$,| | *C1=CC=C(C2CC(*)(C)CCN2CC2=C(*)C=C(*)C3=C2C(*)=CN3)C=*1 |$R5;;;;;;;;R6;;;;;;;;R1;;;R2;;;;R3;;;;X$,| | <r>R5</r>C1=CC=C(C2CC(<r>R6</r>)(C)CCN2CC2=C(<r>R1</r>)C=C(<r>R2</r>)C3=C2C(<r>R3</r>)=CN3)C=<r>X</r>1 | null | [
{
"bbox": [
0.30078125,
0.044921875,
0.341796875,
0.080078125
],
"text": "R5"
},
{
"bbox": [
0.3916015625,
0.193359375,
0.419921875,
0.2216796875
],
"text": "X"
},
{
"bbox": [
0.88671875,
0.1875,
0.9228515625,
... | ||
88 | US10077240B2_3.png | <markush><cxsmi>CC(=O)O.CN1N=C(C(=O)N(<r>L2</r>C2=CC=CC=C2)CC2=CC=CC=C2)C2=C1C1=C<r>Z3</r>=<r>Z2</r>C=C1OC2|m:0:12.13.14.15.16.17</cxsmi><stable>L2:—CH2—<n>*2—CH2CH2NH—<n>*2—CH2CH2O—<n>*2—CH2C(O)NH—<ns>Z2:CH<n>CF<n>CCl<n>CCH3<ns>Z3:CH<n>CF<n>CCl<n>CCH3</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 38 0 0 0
M V30 BEGIN ATOM
M V30 1 C -1.209877 -1.611844 0.000000 0
M V30 2 N 1.350736 -2.506081 0.000000 0
M V30 3 N 0.059034 -2.880553 0.000000 0
M V30 4 C 0.675828 -2.475353 0.000000 0
M V30 5 C -1.890110 -4.4881... | CC(=O)O.CN1N=C(C(=O)N(*C2=CC=CC=C2)CC2=CC=CC=C2)C2=C1C1=C*=*C=C1OC2 |$;;;;;;;;;;;L2;;;;;;;;;;;;;;;;;;Z3;Z2;;;;$,m:0:13.14.12.17.15.16| | CC(=O)O.CN1N=C(C(=O)N(*C2=CC=CC=C2)CC2=CC=CC=C2)C2=C1C1=C*=*C=C1OC2 |$;;;;;;;;;;;L2;;;;;;;;;;;;;;;;;;Z3;Z2;;;;$,m:0:13.14.12.17.15.16| | CC(=O)O.CN1N=C(C(=O)N(<r>L2</r>C2=CC=CC=C2)CC2=CC=CC=C2)C2=C1C1=C<r>Z3</r>=<r>Z2</r>C=C1OC2|m:0:12.13.14.15.16.17 | null | [
{
"bbox": [
0.1123046875,
0.32421875,
0.1416015625,
0.353515625
],
"text": "Z2"
},
{
"bbox": [
0.1416015625,
0.388671875,
0.169921875,
0.416015625
],
"text": "Z3"
},
{
"bbox": [
0.263671875,
0.224609375,
0.28515625... | ||
89 | US10130564B2_22_c.png | <markush><cxsmi><r>Rd</r>C(=C)C(=O)O<r>Rc</r>OC(=O)N<r>Ra</r>NC(=O)O<r>Rb</r>OC(=O)C=C</cxsmi><stable>Ra:a group which has a divalent C6-9 aromatic hydrocarbon group or a divalent C6-9 bridged cyclic hydrocarbon group in the middle and is bonded to nitrogen atoms in adjacent carbamoyl groups via an unsubstituted methyl... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 21 0 0 0
M V30 BEGIN ATOM
M V30 1 R 0.000000 0.000000 0.000000 0 VAL=1
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 C 2.598076 -0.000000 0.000000 0
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 O 2.598076 3.0000... | *C(=C)C(=O)O*OC(=O)N*NC(=O)O*OC(=O)C=C |$Rd;;;;;;Rc;;;;;Ra;;;;;Rb;;;;;$,| | *C(=C)C(=O)O*OC(=O)N*NC(=O)O*OC(=O)C=C |$Rd;;;;;;Rc;;;;;Ra;;;;;Rb;;;;;$,| | <r>Rd</r>C(=C)C(=O)O<r>Rc</r>OC(=O)N<r>Ra</r>NC(=O)O<r>Rb</r>OC(=O)C=C | null | [
{
"bbox": [
0.1396484375,
0.310546875,
0.1591796875,
0.3310546875
],
"text": "O"
},
{
"bbox": [
0.1923828125,
0.2197265625,
0.2109375,
0.2392578125
],
"text": "O"
},
{
"bbox": [
0.2529296875,
0.21484375,
0.28125,
... | ||
90 | US10414768B2_14.png | <markush><cxsmi><r>R5</r>C1=NC(N(<r>R7</r>)<r>R6</r>)=C(N(<r>R3</r>)<r>R2</r>)C(<r>R4</r>)=N1</cxsmi><stable>R4:as defined above in Formula I<ns>R5:as defined above in Formula I<ns>R6:as defined above in Formula I<ns>R7:as defined above in Formula I<ns>R2:H<n>alkyl<n>aryl<n>heteroaryl<n>arylalkyl<n>heteroarylalkyl<n>al... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 14 14 0 0 0
M V30 BEGIN ATOM
M V30 1 R 3.750000 -1.299038 0.000000 0 VAL=1
M V30 2 N 3.000000 0.000000 0.000000 0
M V30 3 R 3.750000 1.299038 0.000000 0 VAL=1
M V30 4 C 1.500000 0.000000 0.000000 0
M V30 5 C -0.000000... | *C1=NC(N(*)*)=C(N(*)*)C(*)=N1 |$R5;;;;;R7;R6;;;R3;R2;;R4;$,| | *C1=NC(N(*)*)=C(N(*)*)C(*)=N1 |$R5;;;;;R7;R6;;;R3;R2;;R4;$,| | <r>R5</r>C1=NC(N(<r>R7</r>)<r>R6</r>)=C(N(<r>R3</r>)<r>R2</r>)C(<r>R4</r>)=N1 | null | [
{
"bbox": [
0.1181640625,
0.2197265625,
0.1474609375,
0.2470703125
],
"text": "R2"
},
{
"bbox": [
0.18359375,
0.125,
0.212890625,
0.15234375
],
"text": "R3"
},
{
"bbox": [
0.18359375,
0.193359375,
0.20703125,
... | ||
91 | US10676429B2_13.png | <markush><cxsmi><r>R3</r>C.<r>R4</r>C.<r>R4</r>C.<r>R4</r>C.<r>R1</r>N(<r>R2</r>)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1F|m:1:14.15.16.17.18.28,m:3:22.23.24.25.26.27,m:5:22.23.24.25.26.27,m:7:22.23.24.25.26.27</cxsmi><stable>R1:any one of the embodiments described<ns>R2:any one of the embodiments described<ns>R4:any on... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 30 27 0 0 0
M V30 BEGIN ATOM
M V30 1 F 2.250000 1.299038 0.000000 0
M V30 2 C -0.600000 0.000000 0.000000 0
M V30 3 C 0.136590 -0.523136 0.000000 0
M V30 4 C 0.043473 0.388006 0.000000 0
M V30 5 C -0.800000 0.000000 0... | *C.*C.*C.*C.*N(*)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1F |$R3;;R4;;R4;;R4;;R1;;R2;;;;;;;;;;;;;;;;;;;$,m:1:17.18.16.15.14.28,m:3:25.24.23.22.27.26,m:5:25.24.23.22.27.26,m:7:25.24.23.22.27.26| | *C.*C.*C.*C.*N(*)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1F |$R3;;R4;;R4;;R4;;R1;;R2;;;;;;;;;;;;;;;;;;;$,m:1:17.18.16.15.14.28,m:3:25.24.23.22.27.26,m:5:25.24.23.22.27.26,m:7:25.24.23.22.27.26| | <r>R3</r>C.<r>R4</r>C.<r>R4</r>C.<r>R4</r>C.<r>R1</r>N(<r>R2</r>)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1F|m:1:14.15.16.17.18.28,m:3:22.23.24.25.26.27,m:5:22.23.24.25.26.27,m:7:22.23.24.25.26.27 | null | [
{
"bbox": [
0.16015625,
0.232421875,
0.1904296875,
0.2578125
],
"text": "R4"
},
{
"bbox": [
0.224609375,
0.3193359375,
0.2529296875,
0.3486328125
],
"text": "R4"
},
{
"bbox": [
0.22265625,
0.1484375,
0.251953125,
... | ||
92 | US10941113B2_7.png | <markush><cxsmi><r>R3</r>C.<r>R4</r>C1=CC(NC(=O)C2=CC(S(=O)(=O)N(<r>R2</r>)<r>R1</r>)=CC=C2)=CC=C1F|m:1:9.10.11.18.19.20</cxsmi><stable>R1:hydrogen<ns>R2:C1-C8 alkyl<ns>R3:Hydrogen<n>methyl<ns>R4:methyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 25 25 0 0 0
M V30 BEGIN ATOM
M V30 1 F 2.250000 1.299038 0.000000 0
M V30 2 C 1.500000 0.000000 0.000000 0
M V30 3 C 0.750000 -1.299038 0.000000 0
M V30 4 C -0.750000 -1.299038 0.000000 0
M V30 5 C -0.000000 -0.000000... | *C.*C1=CC(NC(=O)C2=CC(S(=O)(=O)N(*)*)=CC=C2)=CC=C1F |$R3;;R4;;;;;;;;;;;;;;R2;R1;;;;;;;$,m:1:9.20.19.18.10.11| | *C.*C1=CC(NC(=O)C2=CC(S(=O)(=O)N(*)*)=CC=C2)=CC=C1F |$R3;;R4;;;;;;;;;;;;;;R2;R1;;;;;;;$,m:1:9.20.19.18.10.11| | <r>R3</r>C.<r>R4</r>C1=CC(NC(=O)C2=CC(S(=O)(=O)N(<r>R2</r>)<r>R1</r>)=CC=C2)=CC=C1F|m:1:9.10.11.18.19.20 | null | [
{
"bbox": [
0.197265625,
0.2216796875,
0.212890625,
0.2421875
],
"text": "F"
},
{
"bbox": [
0.1796875,
0.357421875,
0.2099609375,
0.3828125
],
"text": "R4"
},
{
"bbox": [
0.4267578125,
0.357421875,
0.44921875,
... | ||
93 | US10961247B2_75_c.png | <markush><cxsmi><r>R3</r>C(=O)N1CCCC(NC2=NC(NC3=CC=CC(<r>R'</r>)=C3)=NC3=C2C=CN3)C1</cxsmi><stable>R':—NHCO(C2-4 alkenyl)<n>—NHCO(pyrrolidinyl)<n>pyrazolyl unsubstituted or substituted with two C1-4 alkyl<ns>R3:C1-4 alkyl unsubstituted or substituted with cyano<n>C2-4 alkenyl unsubstituted or substituted with cyano<n>—... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 30 0 0 0
M V30 BEGIN ATOM
M V30 1 R 2.018238 7.601591 0.000000 0 VAL=1
M V30 2 C 1.408133 6.231273 0.000000 0
M V30 3 O -0.083649 6.074480 0.000000 0
M V30 4 N 2.289811 5.017747 0.000000 0
M V30 5 C 3.781594 5.1745... | *C(=O)N1CCCC(NC2=NC(NC3=CC=CC(*)=C3)=NC3=C2C=CN3)C1 |$R3;;;;;;;;;;;;;;;;;;R';;;;;;;;$,| | *C(=O)N1CCCC(NC2=NC(NC3=CC=CC(*)=C3)=NC3=C2C=CN3)C1 |$R3;;;;;;;;;;;;;;;;;;R';;;;;;;;$,| | <r>R3</r>C(=O)N1CCCC(NC2=NC(NC3=CC=CC(<r>R'</r>)=C3)=NC3=C2C=CN3)C1 | null | [
{
"bbox": [
0.1181640625,
0.4755859375,
0.1455078125,
0.498046875
],
"text": "R'"
},
{
"bbox": [
0.3779296875,
0.4765625,
0.3994140625,
0.51953125
],
"text": "N"
},
{
"bbox": [
0.4375,
0.369140625,
0.4599609375,
... | ||
94 | US10961247B2_75_c_2.png | <markush><cxsmi><r>R5</r>C1=<r>X1</r>NC2=C1C(NC1CCCN(C(=O)C=C)C1)=NC(NC1=CC=C(<r>R'</r>)C=C1)=N2</cxsmi><stable>X1:CH<n>N<ns>R':piperazinyl unsubstituted or substituted with C1-4 alkyl<n>morpholino<n>—CO-(molpolino)<n>—N(C1-4 alkyl)2<n>C1-4 alkoxy unsubstituted or substituted with —N(C1-4 alkyl)2<n>phenoxy<n>pyrazolyl ... |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 32 0 0 0
M V30 BEGIN ATOM
M V30 1 R 2.775976 0.000000 0.000000 0 VAL=1
M V30 2 C 0.243971 -1.115747 0.000000 0
M V30 3 R 0.667465 0.045428 0.000000 0 VAL=3
M V30 4 N 0.237952 -0.376922 0.000000 0
M V30 5 C 0.394298... | *C1=*NC2=C1C(NC1CCCN(C(=O)C=C)C1)=NC(NC1=CC=C(*)C=C1)=N2 |$R5;;X1;;;;;;;;;;;;;;;;;;;;;;;R';;;$,| | *C1=*NC2=C1C(NC1CCCN(C(=O)C=C)C1)=NC(NC1=CC=C(*)C=C1)=N2 |$R5;;X1;;;;;;;;;;;;;;;;;;;;;;;R';;;$,| | <r>R5</r>C1=<r>X1</r>NC2=C1C(NC1CCCN(C(=O)C=C)C1)=NC(NC1=CC=C(<r>R'</r>)C=C1)=N2 | null | [
{
"bbox": [
0.1005859375,
0.2998046875,
0.1259765625,
0.322265625
],
"text": "R'"
},
{
"bbox": [
0.357421875,
0.44140625,
0.3798828125,
0.4892578125
],
"text": "N"
},
{
"bbox": [
0.4208984375,
0.3369140625,
0.43847... | ||
95 | US11247998B2_71_c.png | <markush><cxsmi><r>R4</r>C.<r>R9</r>C(<r>R8</r>)NC(=O)C1=C2CN(C(=O)NC3=CC=<r>G</r>C=C3)C(<r>R3</r>)CN2C=C1|Sg:n:0:s:ht,m:1:15.16.17.18.19.20</cxsmi><stable>G:C<n>N<ns>R8:methyl<ns>R9:methyl<n>ethyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 28 1 0 0
M V30 BEGIN ATOM
M V30 1 C 5.679259 0.750000 0.000000 0
M V30 2 R 4.380221 0.000000 0.000000 0 VAL=1
M V30 3 R -4.987380 -2.598076 0.000000 0 VAL=1
M V30 4 C -4.237380 -1.299038 0.000000 0
M V30 5 R -4.987... | *C.*C(*)NC(=O)C1=C2CN(C(=O)NC3=CC=*C=C3)C(*)CN2C=C1 |$R4;;R9;;R8;;;;;;;;;;;;;;G;;;;R3;;;;$,Sg:n:0:s:ht:::,m:1:19.18.20.15.17.16| | *C.*C(*)NC(=O)C1=C2CN(C(=O)NC3=CC=*C=C3)C(*)CN2C=C1 |$R4;;R9;;R8;;;;;;;;;;;;;;G;;;;R3;;;;$,Sg:n:0:s:ht:::,m:1:19.18.20.15.17.16| | <r>R4</r>C.<r>R9</r>C(<r>R8</r>)NC(=O)C1=C2CN(C(=O)NC3=CC=<r>G</r>C=C3)C(<r>R3</r>)CN2C=C1|Sg:n:0:s:ht,m:1:15.16.17.18.19.20 | null | [
{
"bbox": [
0.0791015625,
0.2705078125,
0.1083984375,
0.296875
],
"text": "R4"
},
{
"bbox": [
0.1552734375,
0.21875,
0.1748046875,
0.2431640625
],
"text": "G"
},
{
"bbox": [
0.119140625,
0.291015625,
0.12890625,
... | ||
96 | US20200332046A1_33.png | <markush><cxsmi><r>R4</r>C(=C)C(=O)O<r>Z</r><r>R3</r>C|Sg:n:1,2,0,3,4,5:q:ht</cxsmi><stable>R4:H<n>CH3<ns>Z:a linking group with a valency of q+1<ns>q:1-2<ns>R3:a divalent group of Formula III,Formula IV,Formula V,Formula VI</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 8 1 0 0
M V30 BEGIN ATOM
M V30 1 C -1.299038 6.750000 0.000000 0
M V30 2 R -1.299038 5.250000 0.000000 0 VAL=2
M V30 3 R 0.000000 4.500000 0.000000 0 VAL=2
M V30 4 O 0.000000 3.000000 0.000000 0
M V30 5 C 1.299038 2... | *C(=C)C(=O)O**C |$R4;;;;;;Z;R3;$,Sg:n:1,2,0,3,4,5:q:ht:::,| | *C(=C)C(=O)O**C |$R4;;;;;;Z;R3;$,Sg:n:1,2,0,3,4,5:q:ht:::,| | <r>R4</r>C(=C)C(=O)O<r>Z</r><r>R3</r>C|Sg:n:1,2,0,3,4,5:q:ht | null | [
{
"bbox": [
0.1171875,
0.267578125,
0.1494140625,
0.298828125
],
"text": "R4"
},
{
"bbox": [
0.181640625,
0.458984375,
0.2021484375,
0.48046875
],
"text": "O"
},
{
"bbox": [
0.24609375,
0.3486328125,
0.265625,
... | ||
97 | US20200332046A1_33_2.png | <markush><cxsmi><r>R10</r>N(<r>R11</r>C)C(=O)O<r>R9</r>C</cxsmi><stable>R9:an alkylene<n>a heteroalkylene<n>an alkenediyl<n>a heteroalkenediyl</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 9 8 0 0 0
M V30 BEGIN ATOM
M V30 1 C -1.299038 5.250000 0.000000 0
M V30 2 R 0.000000 4.500000 0.000000 0 VAL=2
M V30 3 O 0.000000 3.000000 0.000000 0
M V30 4 C 1.299038 2.250000 0.000000 0
M V30 5 O 2.598076 3.000000... | *N(*C)C(=O)O*C |$R10;;R11;;;;;R9;$,| | *N(*C)C(=O)O*C |$R10;;R11;;;;;R9;$,| | <r>R10</r>N(<r>R11</r>C)C(=O)O<r>R9</r>C | null | [
{
"bbox": [
0.1064453125,
0.328125,
0.1484375,
0.357421875
],
"text": "R11"
},
{
"bbox": [
0.1826171875,
0.3701171875,
0.205078125,
0.3955078125
],
"text": "N"
},
{
"bbox": [
0.181640625,
0.439453125,
0.2255859375,... | ||
98 | US20200332046A1_34.png | <markush><cxsmi>C=C(C)C(=O)OCCNC(=O)OCC(C)OC(=O)NCCOC(=O)C(=C)C|Sg:n:11,12,13,14:n:ht</cxsmi><stable>n:5-70</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 26 1 0 0
M V30 BEGIN ATOM
M V30 1 C 0.000000 0.000000 0.000000 0
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 C 2.598076 -0.000000 0.000000 0
M V30 4 O 3.897114 0.750000 0.000000 0
M V30 5 C 5.196152 -0.000000 0.... | C=C(C)C(=O)OCCNC(=O)OCC(C)OC(=O)NCCOC(=O)C(=C)C |Sg:n:11,12,13,14:n:ht:::,| | C=C(C)C(=O)OCCNC(=O)OCC(C)OC(=O)NCCOC(=O)C(=C)C |Sg:n:11,12,13,14:n:ht:::,| | C=C(C)C(=O)OCCNC(=O)OCC(C)OC(=O)NCCOC(=O)C(=C)C|Sg:n:11,12,13,14:n:ht | null | [
{
"bbox": [
0.130859375,
0.494140625,
0.1494140625,
0.515625
],
"text": "O"
},
{
"bbox": [
0.1796875,
0.4091796875,
0.1982421875,
0.431640625
],
"text": "O"
},
{
"bbox": [
0.3203125,
0.439453125,
0.3427734375,
... | ||
99 | US20200332046A1_34_2.png | <markush><cxsmi>C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCCC(=O)OCC(C)OC(=O)CCCC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C|Sg:n:23,24,25,26:n:ht</cxsmi><stable>n:5-70<n>5-40</stable></markush> |
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 51 50 1 0 0
M V30 BEGIN ATOM
M V30 1 C 0.000000 0.000000 0.000000 0
M V30 2 C 1.299038 0.750000 0.000000 0
M V30 3 C 2.598076 -0.000000 0.000000 0
M V30 4 O 3.897114 0.750000 0.000000 0
M V30 5 C 5.196152 -0.000000 0.... | C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCCC(=O)OCC(C)OC(=O)CCCC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C |Sg:n:23,24,25,26:n:ht:::,| | C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCCC(=O)OCC(C)OC(=O)CCCC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C |Sg:n:23,24,25,26:n:ht:::,| | C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCCC(=O)OCC(C)OC(=O)CCCC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C|Sg:n:23,24,25,26:n:ht | null | [
{
"bbox": [
0.1357421875,
0.3583984375,
0.1484375,
0.3720703125
],
"text": "O"
},
{
"bbox": [
0.13671875,
0.4287109375,
0.1484375,
0.44140625
],
"text": "O"
},
{
"bbox": [
0.1357421875,
0.498046875,
0.1484375,
... |
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